REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1yba_1_C DATA FIRST_RESID 5 DATA SEQUENCE SLEKDKIKFL LVEGVHQKAL ESLRAAGYTN IEFHKGALDD EQLKESIRDA DATA SEQUENCE HFIGLRSRTH LTEDVINAAE KLVAIGCFCI GTNQVDLDAA AKRGIPVFNA DATA SEQUENCE PFSNTRSVAE LVIGELLLLL RGVPEANAKA HRGVWNKLAA GSFEARGKKL DATA SEQUENCE GIIGYGHIGT QLGILAESLG XYVYFYDIEN KLPLGNATQV QHLSDLLNXS DATA SEQUENCE DVVSLHVPEN PSTKNXXGAK EISLXKPGSL LINASRGTVV DIPALCDALA DATA SEQUENCE SKHLAGAAID VFPTEPATNS DPFTSPLCEF DNVLLTPHIG GSTQEAQENI DATA SEQUENCE GLEVAGKLIK YSDNGSTLSA VNFPEVSLPL HGGRRLXHIH ENRPGVLTAL DATA SEQUENCE NKIFAEQGVN IAAQYLQTSA QXGYVVIDIE ADEDVAEKAL QAXKAIPGTI DATA SEQUENCE RARLLY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.577 174.600 -0.038 0.000 1.055 5 S CA 0.000 58.166 58.200 -0.057 0.000 1.107 5 S CB 0.000 63.157 63.200 -0.072 0.000 0.593 6 L N 0.781 121.991 121.223 -0.022 0.000 2.187 6 L HA -0.149 4.193 4.340 0.003 0.000 0.213 6 L C 2.532 179.398 176.870 -0.007 0.000 1.100 6 L CA 1.666 56.500 54.840 -0.009 0.000 0.765 6 L CB -0.643 41.415 42.059 -0.002 0.000 0.904 6 L HN 0.792 nan 8.230 nan 0.000 0.437 7 E N 0.520 120.712 120.200 -0.012 0.000 2.021 7 E HA -0.238 4.114 4.350 0.003 0.000 0.200 7 E C 2.177 178.776 176.600 -0.002 0.000 1.015 7 E CA 1.623 58.021 56.400 -0.003 0.000 0.824 7 E CB -0.014 29.681 29.700 -0.008 0.000 0.762 7 E HN 0.337 nan 8.360 nan 0.000 0.454 8 K N 0.102 120.480 120.400 -0.038 0.000 2.243 8 K HA -0.039 4.282 4.320 0.003 0.000 0.201 8 K C 1.410 178.037 176.600 0.045 0.000 1.051 8 K CA 0.840 57.112 56.287 -0.025 0.000 0.970 8 K CB 0.162 32.486 32.500 -0.293 0.000 0.755 8 K HN 0.075 nan 8.250 nan 0.000 0.465 9 D N 1.390 121.796 120.400 0.010 0.000 2.221 9 D HA -0.140 4.501 4.640 0.003 0.000 0.204 9 D C 1.352 177.674 176.300 0.036 0.000 0.982 9 D CA 1.139 55.158 54.000 0.032 0.000 0.857 9 D CB 0.084 40.892 40.800 0.013 0.000 0.934 9 D HN 0.133 nan 8.370 nan 0.000 0.475 10 K N -0.002 120.400 120.400 0.004 0.000 2.439 10 K HA 0.055 4.377 4.320 0.003 0.000 0.197 10 K C 0.545 177.039 176.600 -0.177 0.000 1.041 10 K CA 0.270 56.535 56.287 -0.037 0.000 0.970 10 K CB 0.358 32.837 32.500 -0.035 0.000 0.773 10 K HN 0.180 nan 8.250 nan 0.000 0.479 11 I N 2.343 122.838 120.570 -0.125 0.000 2.282 11 I HA 0.062 4.234 4.170 0.003 0.000 0.290 11 I C 0.020 176.172 176.117 0.058 0.000 1.090 11 I CA -0.396 60.749 61.300 -0.258 0.000 1.231 11 I CB 0.592 38.644 38.000 0.087 0.000 1.434 11 I HN -0.107 nan 8.210 nan 0.000 0.487 12 K N 6.425 126.852 120.400 0.045 0.000 2.297 12 K HA 0.347 4.668 4.320 0.003 0.000 0.286 12 K C -1.193 175.461 176.600 0.091 0.000 1.053 12 K CA -0.334 56.061 56.287 0.180 0.000 0.940 12 K CB 0.669 33.285 32.500 0.193 0.000 1.019 12 K HN 0.228 nan 8.250 nan 0.000 0.475 13 F N 4.707 124.773 119.950 0.193 0.000 2.404 13 F HA 0.254 4.782 4.527 0.003 0.000 0.354 13 F C 0.031 175.903 175.800 0.120 0.000 1.122 13 F CA -0.964 57.143 58.000 0.177 0.000 1.080 13 F CB 1.022 40.076 39.000 0.090 0.000 1.131 13 F HN 0.323 nan 8.300 nan 0.000 0.471 14 L N 5.944 127.308 121.223 0.236 0.000 2.265 14 L HA 0.545 4.887 4.340 0.003 0.000 0.289 14 L C -1.273 175.679 176.870 0.137 0.000 1.033 14 L CA -0.299 54.636 54.840 0.157 0.000 0.814 14 L CB 0.425 42.555 42.059 0.117 0.000 1.203 14 L HN 0.466 nan 8.230 nan 0.000 0.423 15 L N 6.694 127.964 121.223 0.078 0.000 2.305 15 L HA 0.723 5.065 4.340 0.003 0.000 0.284 15 L C -0.365 176.432 176.870 -0.121 0.000 1.013 15 L CA -0.898 53.931 54.840 -0.017 0.000 0.819 15 L CB 1.753 43.834 42.059 0.037 0.000 1.227 15 L HN 0.529 nan 8.230 nan 0.000 0.417 16 V N -0.875 118.963 119.914 -0.128 0.000 3.126 16 V HA 0.567 4.689 4.120 0.003 0.000 0.314 16 V C 0.176 176.158 176.094 -0.187 0.000 1.138 16 V CA -0.653 61.561 62.300 -0.143 0.000 1.034 16 V CB 1.719 33.515 31.823 -0.044 0.000 1.075 16 V HN 0.889 nan 8.190 nan 0.000 0.442 17 E N 0.589 120.682 120.200 -0.178 0.000 3.370 17 E HA -0.188 4.164 4.350 0.003 0.000 0.291 17 E C 0.904 177.420 176.600 -0.140 0.000 0.916 17 E CA 0.802 57.120 56.400 -0.136 0.000 0.981 17 E CB -1.618 28.031 29.700 -0.084 0.000 1.498 17 E HN 2.330 nan 8.360 nan 0.000 0.452 18 G N 0.055 108.703 108.800 -0.254 0.000 2.401 18 G HA2 -0.214 3.748 3.960 0.003 0.000 0.283 18 G HA3 -0.214 3.748 3.960 0.003 0.000 0.283 18 G C 0.365 175.284 174.900 0.032 0.000 1.117 18 G CA 0.194 45.216 45.100 -0.131 0.000 1.051 18 G HN 0.932 nan 8.290 nan 0.000 0.510 19 V N -1.747 118.178 119.914 0.018 0.000 3.237 19 V HA 0.597 4.719 4.120 0.003 0.000 0.305 19 V C 1.134 177.313 176.094 0.142 0.000 1.096 19 V CA -0.300 62.011 62.300 0.019 0.000 1.130 19 V CB 0.874 32.487 31.823 -0.350 0.000 1.048 19 V HN 0.654 nan 8.190 nan 0.000 0.484 20 H N 1.950 121.055 119.070 0.059 0.000 2.897 20 H HA 0.128 4.686 4.556 0.004 0.000 0.347 20 H C 1.202 176.519 175.328 -0.018 0.000 1.068 20 H CA 0.564 56.636 56.048 0.040 0.000 1.426 20 H CB 0.955 30.747 29.762 0.049 0.000 1.410 20 H HN 0.791 nan 8.280 nan 0.000 0.597 21 Q N 3.456 123.114 119.800 -0.236 0.000 2.248 21 Q HA -0.183 4.159 4.340 0.003 0.000 0.208 21 Q C 1.604 177.598 176.000 -0.009 0.000 0.984 21 Q CA 1.241 56.930 55.803 -0.190 0.000 0.875 21 Q CB 0.024 28.603 28.738 -0.266 0.000 0.910 21 Q HN 0.658 nan 8.270 nan 0.000 0.433 22 K N -0.004 120.539 120.400 0.239 0.000 2.211 22 K HA -0.098 4.224 4.320 0.003 0.000 0.204 22 K C 1.892 178.530 176.600 0.064 0.000 1.047 22 K CA 1.043 57.416 56.287 0.144 0.000 0.935 22 K CB -0.147 32.436 32.500 0.139 0.000 0.728 22 K HN 0.174 nan 8.250 nan 0.000 0.452 23 A N 1.532 124.403 122.820 0.086 0.000 1.898 23 A HA -0.095 4.227 4.320 0.003 0.000 0.216 23 A C 2.187 179.741 177.584 -0.051 0.000 1.181 23 A CA 0.928 53.002 52.037 0.062 0.000 0.620 23 A CB -0.384 18.679 19.000 0.105 0.000 0.819 23 A HN 0.110 nan 8.150 nan 0.000 0.442 24 L N -0.480 120.685 121.223 -0.096 0.000 2.093 24 L HA -0.180 4.162 4.340 0.003 0.000 0.208 24 L C 2.429 179.225 176.870 -0.122 0.000 1.085 24 L CA 1.806 56.556 54.840 -0.149 0.000 0.755 24 L CB -1.285 40.643 42.059 -0.218 0.000 0.904 24 L HN 0.534 nan 8.230 nan 0.000 0.435 25 E N 0.037 120.185 120.200 -0.087 0.000 2.072 25 E HA -0.144 4.208 4.350 0.003 0.000 0.191 25 E C 2.340 178.903 176.600 -0.062 0.000 0.985 25 E CA 1.344 57.703 56.400 -0.068 0.000 0.801 25 E CB 0.011 29.685 29.700 -0.043 0.000 0.750 25 E HN 0.360 nan 8.360 nan 0.000 0.452 26 S N 1.207 116.872 115.700 -0.058 0.000 2.353 26 S HA -0.158 4.314 4.470 0.003 0.000 0.222 26 S C 2.068 176.619 174.600 -0.081 0.000 1.035 26 S CA 0.925 59.089 58.200 -0.060 0.000 1.025 26 S CB -0.290 62.878 63.200 -0.054 0.000 0.902 26 S HN 0.169 nan 8.310 nan 0.000 0.440 27 L N 1.047 122.186 121.223 -0.141 0.000 1.989 27 L HA -0.160 4.182 4.340 0.003 0.000 0.211 27 L C 2.799 179.626 176.870 -0.070 0.000 1.071 27 L CA 1.447 56.168 54.840 -0.197 0.000 0.749 27 L CB -0.477 41.337 42.059 -0.409 0.000 0.890 27 L HN 0.245 nan 8.230 nan 0.000 0.431 28 R N -0.216 120.233 120.500 -0.085 0.000 2.092 28 R HA -0.099 4.243 4.340 0.003 0.000 0.231 28 R C 2.391 178.659 176.300 -0.053 0.000 1.119 28 R CA 1.185 57.249 56.100 -0.061 0.000 0.970 28 R CB -0.550 29.709 30.300 -0.069 0.000 0.864 28 R HN 0.355 nan 8.270 nan 0.000 0.440 29 A N 1.510 124.300 122.820 -0.050 0.000 1.978 29 A HA -0.123 4.199 4.320 0.003 0.000 0.220 29 A C 2.180 179.741 177.584 -0.038 0.000 1.170 29 A CA 1.812 53.824 52.037 -0.043 0.000 0.636 29 A CB -0.395 18.583 19.000 -0.038 0.000 0.810 29 A HN 0.391 nan 8.150 nan 0.000 0.448 30 A N -2.276 120.536 122.820 -0.014 0.000 2.251 30 A HA 0.439 4.761 4.320 0.003 0.000 0.209 30 A C 1.704 179.220 177.584 -0.112 0.000 1.187 30 A CA 1.103 53.146 52.037 0.009 0.000 0.823 30 A CB -0.770 18.312 19.000 0.137 0.000 0.846 30 A HN 1.865 nan 8.150 nan 0.000 0.486 31 G N -2.145 106.567 108.800 -0.147 0.000 2.176 31 G HA2 -0.268 3.694 3.960 0.003 0.000 0.232 31 G HA3 -0.268 3.694 3.960 0.003 0.000 0.232 31 G C -0.094 174.611 174.900 -0.325 0.000 0.986 31 G CA 0.129 45.075 45.100 -0.255 0.000 0.643 31 G HN 0.418 nan 8.290 nan 0.000 0.522 32 Y N 2.116 122.373 120.300 -0.072 0.000 2.600 32 Y HA 0.451 5.003 4.550 0.003 0.000 0.351 32 Y C 1.829 177.677 175.900 -0.087 0.000 1.042 32 Y CA 0.466 58.529 58.100 -0.061 0.000 1.333 32 Y CB 1.002 39.360 38.460 -0.171 0.000 1.172 32 Y HN 0.220 nan 8.280 nan 0.000 0.517 33 T N -2.255 112.344 114.554 0.075 0.000 3.069 33 T HA 0.040 4.392 4.350 0.003 0.000 0.252 33 T C 0.438 175.184 174.700 0.078 0.000 1.053 33 T CA -0.380 61.743 62.100 0.038 0.000 0.964 33 T CB -0.209 68.661 68.868 0.003 0.000 1.005 33 T HN 0.585 nan 8.240 nan 0.000 0.532 34 N N 1.291 120.088 118.700 0.161 0.000 2.555 34 N HA 0.372 5.114 4.740 0.003 0.000 0.244 34 N C -1.126 174.524 175.510 0.234 0.000 1.114 34 N CA -0.381 52.775 53.050 0.176 0.000 0.963 34 N CB 0.084 38.682 38.487 0.186 0.000 1.276 34 N HN 0.412 nan 8.380 nan 0.000 0.510 35 I N 1.732 122.389 120.570 0.146 0.000 2.466 35 I HA 0.204 4.376 4.170 0.003 0.000 0.289 35 I C -0.306 175.869 176.117 0.096 0.000 1.026 35 I CA -0.744 60.644 61.300 0.146 0.000 1.078 35 I CB 2.108 40.145 38.000 0.061 0.000 1.249 35 I HN 0.397 nan 8.210 nan 0.000 0.429 36 E N 6.455 126.712 120.200 0.095 0.000 2.113 36 E HA 0.362 4.713 4.350 0.003 0.000 0.273 36 E C -1.787 174.763 176.600 -0.083 0.000 0.924 36 E CA -0.578 55.816 56.400 -0.011 0.000 0.764 36 E CB 1.350 31.057 29.700 0.012 0.000 1.104 36 E HN 0.445 nan 8.360 nan 0.000 0.406 37 F N 5.048 124.782 119.950 -0.360 0.000 2.495 37 F HA 0.430 4.959 4.527 0.003 0.000 0.327 37 F C -1.044 174.430 175.800 -0.543 0.000 1.103 37 F CA -0.511 57.293 58.000 -0.327 0.000 0.949 37 F CB 1.108 39.995 39.000 -0.189 0.000 1.142 37 F HN 0.475 nan 8.300 nan 0.000 0.457 38 H N 5.063 123.667 119.070 -0.776 0.000 2.679 38 H HA 0.295 4.853 4.556 0.003 0.000 0.360 38 H C 0.106 174.888 175.328 -0.910 0.000 1.105 38 H CA -0.744 54.932 56.048 -0.620 0.000 1.196 38 H CB 2.392 31.977 29.762 -0.295 0.000 1.636 38 H HN 0.680 nan 8.280 nan 0.000 0.531 39 K N 1.500 121.646 120.400 -0.422 0.000 2.103 39 K HA 0.046 4.368 4.320 0.003 0.000 0.204 39 K C 1.274 177.772 176.600 -0.170 0.000 1.052 39 K CA 0.951 57.076 56.287 -0.270 0.000 0.945 39 K CB 0.348 32.817 32.500 -0.052 0.000 0.722 39 K HN 0.552 nan 8.250 nan 0.000 0.443 40 G N 0.062 108.787 108.800 -0.124 0.000 2.705 40 G HA2 0.588 4.550 3.960 0.003 0.000 0.299 40 G HA3 0.588 4.550 3.960 0.003 0.000 0.299 40 G C -1.085 173.749 174.900 -0.110 0.000 1.315 40 G CA -0.564 44.478 45.100 -0.097 0.000 1.045 40 G HN 0.214 nan 8.290 nan 0.000 0.517 41 A N -1.099 121.665 122.820 -0.094 0.000 2.287 41 A HA 0.659 4.981 4.320 0.003 0.000 0.273 41 A C -0.694 176.818 177.584 -0.119 0.000 1.091 41 A CA -0.211 51.769 52.037 -0.096 0.000 0.817 41 A CB 0.615 19.570 19.000 -0.075 0.000 1.069 41 A HN 0.443 nan 8.150 nan 0.000 0.492 42 L N 1.717 122.867 121.223 -0.121 0.000 2.325 42 L HA 0.323 4.664 4.340 0.003 0.000 0.278 42 L C 0.202 177.022 176.870 -0.084 0.000 1.023 42 L CA -0.488 54.267 54.840 -0.143 0.000 0.811 42 L CB 1.340 43.300 42.059 -0.165 0.000 1.249 42 L HN 0.861 nan 8.230 nan 0.000 0.431 43 D N 0.976 121.329 120.400 -0.079 0.000 2.354 43 D HA -0.042 4.600 4.640 0.003 0.000 0.238 43 D C 0.261 176.537 176.300 -0.040 0.000 1.250 43 D CA -0.270 53.701 54.000 -0.048 0.000 0.911 43 D CB 0.821 41.594 40.800 -0.045 0.000 1.163 43 D HN 0.406 nan 8.370 nan 0.000 0.456 44 D N -0.079 120.306 120.400 -0.024 0.000 2.084 44 D HA -0.157 4.485 4.640 0.003 0.000 0.194 44 D C 1.792 178.079 176.300 -0.022 0.000 0.990 44 D CA 1.185 55.175 54.000 -0.017 0.000 0.826 44 D CB -0.099 40.695 40.800 -0.011 0.000 0.971 44 D HN 0.421 nan 8.370 nan 0.000 0.453 45 E N 0.649 120.835 120.200 -0.023 0.000 2.045 45 E HA -0.263 4.089 4.350 0.003 0.000 0.212 45 E C 2.104 178.688 176.600 -0.028 0.000 1.039 45 E CA 1.296 57.682 56.400 -0.023 0.000 0.860 45 E CB -0.678 29.009 29.700 -0.023 0.000 0.776 45 E HN 0.248 nan 8.360 nan 0.000 0.467 46 Q N 0.416 120.189 119.800 -0.045 0.000 2.170 46 Q HA -0.091 4.251 4.340 0.003 0.000 0.203 46 Q C 2.106 178.076 176.000 -0.050 0.000 0.976 46 Q CA 0.810 56.577 55.803 -0.060 0.000 0.858 46 Q CB -0.410 28.258 28.738 -0.116 0.000 0.907 46 Q HN 0.250 nan 8.270 nan 0.000 0.433 47 L N 0.231 121.425 121.223 -0.048 0.000 2.017 47 L HA -0.169 4.173 4.340 0.003 0.000 0.208 47 L C 1.615 178.478 176.870 -0.012 0.000 1.073 47 L CA 1.902 56.724 54.840 -0.030 0.000 0.745 47 L CB -0.448 41.596 42.059 -0.025 0.000 0.894 47 L HN 0.064 nan 8.230 nan 0.000 0.432 48 K N -0.162 120.230 120.400 -0.013 0.000 2.148 48 K HA -0.113 4.209 4.320 0.003 0.000 0.204 48 K C 2.038 178.635 176.600 -0.005 0.000 1.050 48 K CA 1.419 57.701 56.287 -0.010 0.000 0.942 48 K CB -0.379 32.114 32.500 -0.011 0.000 0.724 48 K HN 0.507 nan 8.250 nan 0.000 0.446 49 E N 0.687 120.885 120.200 -0.003 0.000 2.072 49 E HA -0.045 4.307 4.350 0.003 0.000 0.190 49 E C 1.959 178.571 176.600 0.020 0.000 0.982 49 E CA 1.059 57.462 56.400 0.006 0.000 0.803 49 E CB 0.110 29.814 29.700 0.006 0.000 0.755 49 E HN 0.147 nan 8.360 nan 0.000 0.453 50 S N 0.602 116.319 115.700 0.028 0.000 2.406 50 S HA -0.027 4.445 4.470 0.003 0.000 0.228 50 S C 1.938 176.567 174.600 0.048 0.000 1.020 50 S CA 0.511 58.746 58.200 0.059 0.000 0.965 50 S CB 0.091 63.347 63.200 0.093 0.000 0.798 50 S HN 0.234 nan 8.310 nan 0.000 0.488 51 I N 1.114 121.698 120.570 0.023 0.000 3.427 51 I HA 0.054 4.226 4.170 0.003 0.000 0.288 51 I C 2.374 178.480 176.117 -0.019 0.000 1.249 51 I CA 0.110 61.414 61.300 0.006 0.000 1.421 51 I CB -0.064 37.935 38.000 -0.002 0.000 1.086 51 I HN 0.165 nan 8.210 nan 0.000 0.448 52 R N 1.634 122.125 120.500 -0.015 0.000 2.159 52 R HA -0.265 4.077 4.340 0.003 0.000 0.249 52 R C 0.724 176.997 176.300 -0.046 0.000 1.136 52 R CA 2.645 58.728 56.100 -0.027 0.000 0.951 52 R CB -0.306 29.986 30.300 -0.013 0.000 0.876 52 R HN 0.485 nan 8.270 nan 0.000 0.440 53 D N -1.137 119.249 120.400 -0.023 0.000 2.559 53 D HA 0.206 4.848 4.640 0.003 0.000 0.234 53 D C -0.749 175.552 176.300 0.001 0.000 1.226 53 D CA -0.130 53.858 54.000 -0.021 0.000 0.830 53 D CB 0.570 41.389 40.800 0.030 0.000 1.028 53 D HN 0.325 nan 8.370 nan 0.000 0.492 54 A N 0.142 122.939 122.820 -0.039 0.000 2.301 54 A HA 0.430 4.752 4.320 0.003 0.000 0.298 54 A C 0.135 177.627 177.584 -0.153 0.000 1.185 54 A CA -0.463 51.570 52.037 -0.007 0.000 0.830 54 A CB 0.543 19.543 19.000 -0.000 0.000 1.112 54 A HN 0.183 nan 8.150 nan 0.000 0.508 55 H N 1.232 120.171 119.070 -0.218 0.000 2.465 55 H HA 0.293 4.851 4.556 0.003 0.000 0.289 55 H C -0.626 174.202 175.328 -0.834 0.000 1.022 55 H CA 1.270 57.042 56.048 -0.460 0.000 1.340 55 H CB 0.101 29.632 29.762 -0.384 0.000 1.437 55 H HN 0.600 nan 8.280 nan 0.000 0.539 56 F N -0.553 119.211 119.950 -0.310 0.000 2.588 56 F HA 0.437 4.965 4.527 0.003 0.000 0.314 56 F C -0.660 175.085 175.800 -0.091 0.000 1.069 56 F CA -1.131 56.709 58.000 -0.266 0.000 0.931 56 F CB 2.468 41.137 39.000 -0.551 0.000 1.260 56 F HN -0.186 nan 8.300 nan 0.000 0.465 57 I N 1.067 121.761 120.570 0.206 0.000 2.533 57 I HA 0.746 4.917 4.170 0.003 0.000 0.290 57 I C -0.777 175.499 176.117 0.265 0.000 1.056 57 I CA -0.354 61.058 61.300 0.186 0.000 1.057 57 I CB 1.672 39.729 38.000 0.094 0.000 1.240 57 I HN 0.681 nan 8.210 nan 0.000 0.423 58 G N 7.825 116.771 108.800 0.243 0.000 2.416 58 G HA2 0.666 4.628 3.960 0.003 0.000 0.324 58 G HA3 0.666 4.628 3.960 0.003 0.000 0.324 58 G C -1.146 173.818 174.900 0.106 0.000 1.194 58 G CA -0.552 44.712 45.100 0.274 0.000 0.922 58 G HN 0.738 nan 8.290 nan 0.000 0.467 59 L N -0.572 120.772 121.223 0.201 0.000 2.510 59 L HA 0.831 5.173 4.340 0.003 0.000 0.252 59 L C -0.194 176.753 176.870 0.127 0.000 1.091 59 L CA -1.548 53.343 54.840 0.085 0.000 0.888 59 L CB 1.594 43.681 42.059 0.046 0.000 1.507 59 L HN 0.455 nan 8.230 nan 0.000 0.407 60 R N -0.682 119.842 120.500 0.040 0.000 3.460 60 R HA 0.488 4.830 4.340 0.003 0.000 0.219 60 R C 1.079 177.359 176.300 -0.033 0.000 1.633 60 R CA -0.175 55.943 56.100 0.031 0.000 0.940 60 R CB 0.296 30.608 30.300 0.020 0.000 1.845 60 R HN 0.747 nan 8.270 nan 0.000 0.528 61 S N 1.281 116.947 115.700 -0.056 0.000 2.399 61 S HA -0.070 4.402 4.470 0.003 0.000 0.231 61 S C 1.683 176.177 174.600 -0.177 0.000 1.022 61 S CA 1.167 59.310 58.200 -0.095 0.000 0.983 61 S CB -0.104 63.047 63.200 -0.083 0.000 0.803 61 S HN 0.264 nan 8.310 nan 0.000 0.480 62 R N 1.043 121.440 120.500 -0.171 0.000 2.156 62 R HA 0.179 4.520 4.340 0.003 0.000 0.207 62 R C 0.512 176.609 176.300 -0.337 0.000 1.040 62 R CA 0.391 56.358 56.100 -0.222 0.000 1.013 62 R CB -1.258 28.974 30.300 -0.113 0.000 0.931 62 R HN 0.240 nan 8.270 nan 0.000 0.465 63 T N 2.485 116.900 114.554 -0.232 0.000 2.784 63 T HA 0.042 4.394 4.350 0.003 0.000 0.291 63 T C -0.279 174.262 174.700 -0.265 0.000 0.942 63 T CA 0.268 62.262 62.100 -0.177 0.000 1.161 63 T CB -0.064 68.752 68.868 -0.086 0.000 0.885 63 T HN 0.167 nan 8.240 nan 0.000 0.534 64 H N 2.911 121.974 119.070 -0.010 0.000 2.761 64 H HA 0.291 4.849 4.556 0.003 0.000 0.284 64 H C 0.108 175.429 175.328 -0.012 0.000 1.105 64 H CA -0.470 55.572 56.048 -0.010 0.000 1.352 64 H CB 0.269 30.024 29.762 -0.011 0.000 1.423 64 H HN 0.408 nan 8.280 nan 0.000 0.464 65 L N 4.736 126.005 121.223 0.077 0.000 2.358 65 L HA 0.138 4.480 4.340 0.003 0.000 0.274 65 L C 0.698 177.592 176.870 0.040 0.000 1.136 65 L CA -0.533 54.331 54.840 0.041 0.000 0.970 65 L CB -0.391 41.676 42.059 0.014 0.000 1.314 65 L HN 0.698 nan 8.230 nan 0.000 0.427 66 T N -3.119 111.460 114.554 0.041 0.000 2.770 66 T HA 0.095 4.447 4.350 0.003 0.000 0.281 66 T C 1.074 175.775 174.700 0.002 0.000 0.981 66 T CA -0.587 61.525 62.100 0.021 0.000 0.955 66 T CB 1.647 70.521 68.868 0.011 0.000 1.060 66 T HN 0.520 nan 8.240 nan 0.000 0.531 67 E N 0.202 120.399 120.200 -0.005 0.000 2.049 67 E HA -0.251 4.101 4.350 0.003 0.000 0.198 67 E C 1.477 178.069 176.600 -0.013 0.000 1.007 67 E CA 1.866 58.259 56.400 -0.012 0.000 0.809 67 E CB -0.180 29.513 29.700 -0.013 0.000 0.749 67 E HN 0.660 nan 8.360 nan 0.000 0.450 68 D N -0.285 120.108 120.400 -0.012 0.000 2.144 68 D HA -0.124 4.517 4.640 0.003 0.000 0.199 68 D C 2.038 178.330 176.300 -0.013 0.000 0.984 68 D CA 0.732 54.724 54.000 -0.013 0.000 0.834 68 D CB -0.143 40.649 40.800 -0.012 0.000 0.955 68 D HN 0.092 nan 8.370 nan 0.000 0.465 69 V N 1.150 121.059 119.914 -0.008 0.000 2.261 69 V HA -0.212 3.910 4.120 0.003 0.000 0.246 69 V C 2.529 178.612 176.094 -0.018 0.000 1.047 69 V CA 1.120 63.415 62.300 -0.009 0.000 1.015 69 V CB -0.346 31.478 31.823 0.002 0.000 0.642 69 V HN 0.186 nan 8.190 nan 0.000 0.446 70 I N 0.349 120.907 120.570 -0.020 0.000 2.264 70 I HA -0.268 3.904 4.170 0.003 0.000 0.248 70 I C 2.295 178.389 176.117 -0.039 0.000 1.111 70 I CA 1.624 62.904 61.300 -0.033 0.000 1.382 70 I CB -0.544 37.437 38.000 -0.032 0.000 1.060 70 I HN 0.428 nan 8.210 nan 0.000 0.418 71 N N 0.718 119.399 118.700 -0.031 0.000 2.244 71 N HA -0.114 4.628 4.740 0.003 0.000 0.183 71 N C 1.927 177.416 175.510 -0.035 0.000 1.016 71 N CA 1.203 54.234 53.050 -0.032 0.000 0.866 71 N CB -0.000 38.472 38.487 -0.025 0.000 0.980 71 N HN 0.345 nan 8.380 nan 0.000 0.430 72 A N 1.320 124.121 122.820 -0.032 0.000 1.968 72 A HA 0.160 4.482 4.320 0.003 0.000 0.217 72 A C 1.370 178.927 177.584 -0.044 0.000 1.169 72 A CA 0.570 52.588 52.037 -0.032 0.000 0.638 72 A CB -0.247 18.738 19.000 -0.025 0.000 0.812 72 A HN 0.242 nan 8.150 nan 0.000 0.446 73 A N 0.685 123.473 122.820 -0.053 0.000 2.770 73 A HA 0.290 4.612 4.320 0.003 0.000 0.292 73 A C 0.790 178.314 177.584 -0.099 0.000 1.604 73 A CA 0.235 52.226 52.037 -0.075 0.000 1.271 73 A CB -0.606 18.346 19.000 -0.079 0.000 1.075 73 A HN 0.597 nan 8.150 nan 0.000 0.573 74 E N 1.318 121.460 120.200 -0.097 0.000 2.153 74 E HA -0.156 4.196 4.350 0.003 0.000 0.194 74 E C 1.252 177.755 176.600 -0.162 0.000 0.988 74 E CA 1.284 57.621 56.400 -0.105 0.000 0.811 74 E CB 0.071 29.722 29.700 -0.081 0.000 0.746 74 E HN 0.676 nan 8.360 nan 0.000 0.466 75 K N 0.206 120.464 120.400 -0.237 0.000 2.358 75 K HA 0.122 4.444 4.320 0.003 0.000 0.197 75 K C -0.124 176.184 176.600 -0.486 0.000 1.025 75 K CA -0.279 55.757 56.287 -0.418 0.000 1.104 75 K CB 0.458 32.582 32.500 -0.627 0.000 0.855 75 K HN 0.033 nan 8.250 nan 0.000 0.531 76 L N 1.272 122.301 121.223 -0.323 0.000 2.360 76 L HA 0.031 4.373 4.340 0.003 0.000 0.276 76 L C 0.809 177.490 176.870 -0.315 0.000 1.121 76 L CA 0.331 54.983 54.840 -0.314 0.000 0.845 76 L CB 1.258 43.194 42.059 -0.204 0.000 1.143 76 L HN -0.205 nan 8.230 nan 0.000 0.452 77 V N 4.346 123.991 119.914 -0.448 0.000 2.908 77 V HA 0.566 4.688 4.120 0.003 0.000 0.240 77 V C 0.545 176.470 176.094 -0.282 0.000 1.117 77 V CA 0.725 62.788 62.300 -0.395 0.000 1.133 77 V CB 0.202 31.624 31.823 -0.668 0.000 0.857 77 V HN 0.893 nan 8.190 nan 0.000 0.478 78 A N -0.367 122.251 122.820 -0.337 0.000 2.604 78 A HA 0.775 5.097 4.320 0.003 0.000 0.295 78 A C -1.526 176.090 177.584 0.053 0.000 1.067 78 A CA -0.411 51.572 52.037 -0.090 0.000 0.683 78 A CB 1.385 20.511 19.000 0.211 0.000 1.281 78 A HN 0.134 nan 8.150 nan 0.000 0.407 79 I N 0.925 121.514 120.570 0.030 0.000 2.441 79 I HA 0.602 4.774 4.170 0.003 0.000 0.295 79 I C 0.627 176.853 176.117 0.181 0.000 0.994 79 I CA -0.575 60.781 61.300 0.093 0.000 1.144 79 I CB 2.356 40.354 38.000 -0.002 0.000 1.314 79 I HN 0.769 nan 8.210 nan 0.000 0.445 80 G N 4.575 113.522 108.800 0.245 0.000 2.574 80 G HA2 0.454 4.416 3.960 0.003 0.000 0.306 80 G HA3 0.454 4.416 3.960 0.003 0.000 0.306 80 G C -1.000 174.020 174.900 0.199 0.000 1.334 80 G CA -0.263 44.959 45.100 0.203 0.000 0.954 80 G HN 0.661 nan 8.290 nan 0.000 0.500 81 C N 2.851 122.187 119.300 0.059 0.000 2.322 81 C HA 0.254 4.716 4.460 0.003 0.000 0.343 81 C C 0.188 175.173 174.990 -0.007 0.000 1.190 81 C CA -0.686 58.375 59.018 0.071 0.000 1.704 81 C CB -1.471 26.274 27.740 0.009 0.000 2.293 81 C HN 0.626 nan 8.230 nan 0.000 0.523 82 F N 3.418 123.375 119.950 0.011 0.000 2.666 82 F HA 0.353 4.883 4.527 0.004 0.000 0.362 82 F C 1.300 177.095 175.800 -0.008 0.000 1.190 82 F CA -0.096 57.909 58.000 0.009 0.000 1.328 82 F CB -0.457 38.560 39.000 0.029 0.000 1.682 82 F HN 0.855 nan 8.300 nan 0.000 0.623 83 C N -2.181 117.138 119.300 0.031 0.000 3.209 83 C HA 0.381 4.843 4.460 0.003 0.000 0.353 83 C C 1.197 176.151 174.990 -0.059 0.000 1.436 83 C CA -1.352 57.666 59.018 -0.001 0.000 1.186 83 C CB 0.295 28.043 27.740 0.012 0.000 1.550 83 C HN 0.331 nan 8.230 nan 0.000 0.435 84 I N 1.795 122.327 120.570 -0.064 0.000 2.277 84 I HA 0.220 4.391 4.170 0.003 0.000 0.243 84 I C 1.843 177.913 176.117 -0.078 0.000 1.094 84 I CA 1.786 63.029 61.300 -0.095 0.000 1.393 84 I CB -0.593 37.363 38.000 -0.075 0.000 1.078 84 I HN 0.935 nan 8.210 nan 0.000 0.417 85 G N -0.012 108.758 108.800 -0.050 0.000 2.503 85 G HA2 0.327 4.289 3.960 0.003 0.000 0.257 85 G HA3 0.327 4.289 3.960 0.003 0.000 0.257 85 G C 0.526 175.406 174.900 -0.034 0.000 1.214 85 G CA 0.286 45.365 45.100 -0.036 0.000 0.839 85 G HN 0.334 nan 8.290 nan 0.000 0.559 86 T N -2.077 112.461 114.554 -0.026 0.000 3.087 86 T HA 0.103 4.455 4.350 0.003 0.000 0.283 86 T C 1.308 176.004 174.700 -0.007 0.000 0.956 86 T CA -0.298 61.787 62.100 -0.024 0.000 0.894 86 T CB 0.078 68.923 68.868 -0.038 0.000 1.160 86 T HN 0.407 nan 8.240 nan 0.000 0.532 87 N N 2.838 121.543 118.700 0.007 0.000 2.289 87 N HA -0.130 4.612 4.740 0.003 0.000 0.184 87 N C 1.949 177.498 175.510 0.065 0.000 1.016 87 N CA 1.269 54.338 53.050 0.032 0.000 0.872 87 N CB -0.144 38.369 38.487 0.044 0.000 0.973 87 N HN 0.663 nan 8.380 nan 0.000 0.433 88 Q N 0.913 120.742 119.800 0.049 0.000 2.541 88 Q HA 0.005 4.346 4.340 0.003 0.000 0.215 88 Q C 0.148 176.190 176.000 0.071 0.000 0.977 88 Q CA 0.542 56.388 55.803 0.071 0.000 0.934 88 Q CB -0.155 28.505 28.738 -0.130 0.000 0.988 88 Q HN 0.055 nan 8.270 nan 0.000 0.521 89 V N 2.439 122.375 119.914 0.037 0.000 2.448 89 V HA 0.154 4.276 4.120 0.003 0.000 0.295 89 V C -0.494 175.608 176.094 0.013 0.000 1.025 89 V CA -0.991 61.320 62.300 0.019 0.000 0.859 89 V CB 1.735 33.553 31.823 -0.008 0.000 0.988 89 V HN 0.063 nan 8.190 nan 0.000 0.431 90 D N 3.999 124.405 120.400 0.011 0.000 2.348 90 D HA 0.163 4.805 4.640 0.003 0.000 0.259 90 D C 0.948 177.239 176.300 -0.016 0.000 1.296 90 D CA 0.252 54.251 54.000 -0.001 0.000 0.931 90 D CB 0.982 41.781 40.800 -0.002 0.000 1.067 90 D HN 0.472 nan 8.370 nan 0.000 0.503 91 L N 2.646 123.858 121.223 -0.019 0.000 2.156 91 L HA -0.117 4.224 4.340 0.003 0.000 0.208 91 L C 1.445 178.299 176.870 -0.026 0.000 1.095 91 L CA 0.758 55.579 54.840 -0.032 0.000 0.770 91 L CB -0.044 41.994 42.059 -0.034 0.000 0.914 91 L HN 0.266 nan 8.230 nan 0.000 0.439 92 D N 0.554 120.941 120.400 -0.021 0.000 2.149 92 D HA -0.121 4.521 4.640 0.003 0.000 0.201 92 D C 2.227 178.517 176.300 -0.018 0.000 0.972 92 D CA 1.193 55.181 54.000 -0.020 0.000 0.835 92 D CB -0.129 40.660 40.800 -0.018 0.000 0.966 92 D HN 0.254 nan 8.370 nan 0.000 0.476 93 A N 0.999 123.808 122.820 -0.018 0.000 1.898 93 A HA 0.041 4.363 4.320 0.003 0.000 0.216 93 A C 2.285 179.855 177.584 -0.024 0.000 1.181 93 A CA 1.932 53.957 52.037 -0.019 0.000 0.620 93 A CB -0.879 18.110 19.000 -0.018 0.000 0.819 93 A HN 0.241 nan 8.150 nan 0.000 0.442 94 A N -0.091 122.710 122.820 -0.031 0.000 1.898 94 A HA 0.187 4.509 4.320 0.003 0.000 0.216 94 A C 2.511 180.087 177.584 -0.014 0.000 1.181 94 A CA 1.997 54.008 52.037 -0.045 0.000 0.620 94 A CB -1.047 17.910 19.000 -0.073 0.000 0.819 94 A HN 1.053 nan 8.150 nan 0.000 0.442 95 A N -0.007 122.821 122.820 0.013 0.000 1.908 95 A HA -0.216 4.106 4.320 0.003 0.000 0.218 95 A C 2.098 179.703 177.584 0.035 0.000 1.181 95 A CA 1.946 54.021 52.037 0.063 0.000 0.627 95 A CB -0.496 18.506 19.000 0.004 0.000 0.818 95 A HN 0.545 nan 8.150 nan 0.000 0.445 96 K N -1.003 119.398 120.400 0.001 0.000 2.147 96 K HA -0.089 4.233 4.320 0.003 0.000 0.205 96 K C 1.922 178.524 176.600 0.004 0.000 1.049 96 K CA 1.362 57.646 56.287 -0.006 0.000 0.936 96 K CB -0.109 32.384 32.500 -0.012 0.000 0.722 96 K HN 0.336 nan 8.250 nan 0.000 0.446 97 R N -0.447 120.054 120.500 0.002 0.000 2.317 97 R HA 0.034 4.376 4.340 0.003 0.000 0.208 97 R C 0.475 176.780 176.300 0.008 0.000 0.914 97 R CA 0.427 56.522 56.100 -0.009 0.000 1.060 97 R CB 0.556 30.834 30.300 -0.037 0.000 1.015 97 R HN 0.326 nan 8.270 nan 0.000 0.498 98 G N 1.479 110.328 108.800 0.081 0.000 2.225 98 G HA2 -0.263 3.699 3.960 0.003 0.000 0.264 98 G HA3 -0.263 3.699 3.960 0.003 0.000 0.264 98 G C -0.042 174.834 174.900 -0.040 0.000 1.060 98 G CA -0.111 45.107 45.100 0.197 0.000 0.833 98 G HN 0.273 nan 8.290 nan 0.000 0.498 99 I N 1.674 122.171 120.570 -0.121 0.000 2.371 99 I HA 0.280 4.452 4.170 0.003 0.000 0.282 99 I C -1.998 173.821 176.117 -0.498 0.000 1.031 99 I CA -2.493 58.617 61.300 -0.316 0.000 1.180 99 I CB 1.702 39.586 38.000 -0.193 0.000 1.336 99 I HN -0.113 nan 8.210 nan 0.000 0.467 100 P HA 0.122 nan 4.420 nan 0.000 0.271 100 P C -0.627 176.208 177.300 -0.775 0.000 1.218 100 P CA -0.140 62.295 63.100 -1.108 0.000 0.780 100 P CB 1.066 31.759 31.700 -1.679 0.000 0.901 101 V N 3.736 123.232 119.914 -0.698 0.000 2.444 101 V HA 0.401 4.523 4.120 0.003 0.000 0.294 101 V C -0.163 175.583 176.094 -0.580 0.000 1.022 101 V CA -0.274 61.752 62.300 -0.457 0.000 0.850 101 V CB 0.510 32.191 31.823 -0.237 0.000 0.992 101 V HN 0.346 nan 8.190 nan 0.000 0.426 102 F N 4.177 124.040 119.950 -0.145 0.000 2.497 102 F HA 0.722 5.250 4.527 0.002 0.000 0.331 102 F C 0.553 176.257 175.800 -0.160 0.000 1.060 102 F CA -0.533 57.378 58.000 -0.149 0.000 0.989 102 F CB 1.667 40.572 39.000 -0.160 0.000 1.245 102 F HN 0.654 nan 8.300 nan 0.000 0.486 103 N N 0.325 119.042 118.700 0.027 0.000 3.418 103 N HA 0.717 5.458 4.740 0.003 0.000 0.316 103 N C -1.966 173.453 175.510 -0.151 0.000 1.601 103 N CA -0.954 52.041 53.050 -0.092 0.000 0.805 103 N CB 1.453 39.883 38.487 -0.096 0.000 1.873 103 N HN 0.629 nan 8.380 nan 0.000 0.615 104 A N 0.191 122.901 122.820 -0.184 0.000 2.815 104 A HA 0.519 4.841 4.320 0.003 0.000 0.318 104 A C -2.160 175.265 177.584 -0.265 0.000 1.186 104 A CA -1.059 50.856 52.037 -0.204 0.000 0.754 104 A CB 0.943 19.840 19.000 -0.173 0.000 1.151 104 A HN 0.592 nan 8.150 nan 0.000 0.452 105 P HA 0.065 nan 4.420 nan 0.000 0.224 105 P C 0.132 176.944 177.300 -0.813 0.000 1.157 105 P CA 0.892 63.563 63.100 -0.715 0.000 0.799 105 P CB 0.043 31.085 31.700 -1.096 0.000 0.809 106 F N -0.777 119.060 119.950 -0.188 0.000 2.881 106 F HA 0.358 4.887 4.527 0.005 0.000 0.343 106 F C 1.509 177.216 175.800 -0.156 0.000 1.233 106 F CA -0.237 57.610 58.000 -0.255 0.000 1.262 106 F CB -0.482 38.201 39.000 -0.528 0.000 0.980 106 F HN -0.248 nan 8.300 nan 0.000 0.506 107 S N -0.457 115.238 115.700 -0.008 0.000 2.548 107 S HA 0.041 4.513 4.470 0.003 0.000 0.215 107 S C 1.438 176.038 174.600 0.000 0.000 0.976 107 S CA 0.250 58.445 58.200 -0.008 0.000 0.908 107 S CB -0.259 62.917 63.200 -0.040 0.000 0.781 107 S HN 0.497 nan 8.310 nan 0.000 0.519 108 N N 0.442 119.149 118.700 0.012 0.000 2.230 108 N HA 0.075 4.816 4.740 0.003 0.000 0.202 108 N C 0.846 176.367 175.510 0.020 0.000 1.119 108 N CA 0.123 53.183 53.050 0.017 0.000 0.851 108 N CB 0.388 38.890 38.487 0.025 0.000 0.990 108 N HN 0.166 nan 8.380 nan 0.000 0.497 109 T N 1.076 115.644 114.554 0.023 0.000 2.652 109 T HA -0.208 4.144 4.350 0.003 0.000 0.267 109 T C 1.915 176.601 174.700 -0.023 0.000 1.039 109 T CA 1.295 63.400 62.100 0.008 0.000 1.153 109 T CB -0.117 68.763 68.868 0.020 0.000 0.863 109 T HN 0.220 nan 8.240 nan 0.000 0.428 110 R N 1.180 121.669 120.500 -0.019 0.000 2.081 110 R HA -0.022 4.320 4.340 0.003 0.000 0.235 110 R C 2.546 178.838 176.300 -0.014 0.000 1.131 110 R CA 1.683 57.769 56.100 -0.024 0.000 0.960 110 R CB -0.613 29.676 30.300 -0.019 0.000 0.856 110 R HN 0.231 nan 8.270 nan 0.000 0.436 111 S N -0.560 115.138 115.700 -0.002 0.000 2.382 111 S HA -0.089 4.383 4.470 0.003 0.000 0.228 111 S C 1.843 176.451 174.600 0.014 0.000 1.027 111 S CA 1.311 59.516 58.200 0.009 0.000 0.991 111 S CB -0.125 63.085 63.200 0.017 0.000 0.823 111 S HN 0.166 nan 8.310 nan 0.000 0.469 112 V N 1.883 121.804 119.914 0.011 0.000 2.379 112 V HA -0.116 4.005 4.120 0.003 0.000 0.245 112 V C 2.647 178.745 176.094 0.007 0.000 1.044 112 V CA 1.521 63.836 62.300 0.024 0.000 1.036 112 V CB -1.228 30.614 31.823 0.033 0.000 0.664 112 V HN 0.519 nan 8.190 nan 0.000 0.453 113 A N -0.291 122.504 122.820 -0.042 0.000 1.883 113 A HA -0.256 4.066 4.320 0.003 0.000 0.217 113 A C 2.199 179.775 177.584 -0.012 0.000 1.186 113 A CA 1.954 53.955 52.037 -0.059 0.000 0.624 113 A CB -0.524 18.424 19.000 -0.088 0.000 0.822 113 A HN 0.592 nan 8.150 nan 0.000 0.444 114 E N -0.879 119.317 120.200 -0.007 0.000 2.118 114 E HA -0.203 4.149 4.350 0.003 0.000 0.195 114 E C 1.961 178.570 176.600 0.016 0.000 0.992 114 E CA 1.297 57.699 56.400 0.003 0.000 0.804 114 E CB -0.251 29.450 29.700 0.003 0.000 0.741 114 E HN 0.539 nan 8.360 nan 0.000 0.458 115 L N 0.559 121.796 121.223 0.023 0.000 2.056 115 L HA -0.140 4.202 4.340 0.003 0.000 0.207 115 L C 2.199 179.092 176.870 0.038 0.000 1.078 115 L CA 1.294 56.152 54.840 0.030 0.000 0.749 115 L CB -0.263 41.817 42.059 0.035 0.000 0.901 115 L HN -0.094 nan 8.230 nan 0.000 0.433 116 V N -0.128 119.818 119.914 0.053 0.000 2.407 116 V HA -0.270 3.852 4.120 0.003 0.000 0.248 116 V C 2.546 178.670 176.094 0.051 0.000 1.055 116 V CA 1.450 63.792 62.300 0.069 0.000 1.049 116 V CB -0.628 31.272 31.823 0.129 0.000 0.662 116 V HN 0.369 nan 8.190 nan 0.000 0.455 117 I N 1.185 121.778 120.570 0.038 0.000 2.142 117 I HA -0.174 3.998 4.170 0.003 0.000 0.240 117 I C 2.669 178.800 176.117 0.025 0.000 1.078 117 I CA 2.153 63.470 61.300 0.028 0.000 1.343 117 I CB -1.936 36.073 38.000 0.016 0.000 1.046 117 I HN 0.371 nan 8.210 nan 0.000 0.405 118 G N 0.324 109.137 108.800 0.023 0.000 2.446 118 G HA2 -0.237 3.725 3.960 0.003 0.000 0.217 118 G HA3 -0.237 3.725 3.960 0.003 0.000 0.217 118 G C 1.586 176.501 174.900 0.024 0.000 1.168 118 G CA 0.578 45.691 45.100 0.021 0.000 0.771 118 G HN 0.451 nan 8.290 nan 0.000 0.551 119 E N 0.200 120.416 120.200 0.027 0.000 2.077 119 E HA -0.133 4.219 4.350 0.003 0.000 0.193 119 E C 2.537 179.154 176.600 0.027 0.000 0.989 119 E CA 1.257 57.673 56.400 0.027 0.000 0.800 119 E CB -0.244 29.471 29.700 0.026 0.000 0.746 119 E HN 0.533 nan 8.360 nan 0.000 0.452 120 L N -0.561 120.680 121.223 0.030 0.000 2.093 120 L HA -0.104 4.238 4.340 0.003 0.000 0.208 120 L C 2.059 178.949 176.870 0.034 0.000 1.085 120 L CA 1.500 56.359 54.840 0.032 0.000 0.755 120 L CB -0.662 41.418 42.059 0.036 0.000 0.904 120 L HN 0.012 nan 8.230 nan 0.000 0.435 121 L N -0.569 120.672 121.223 0.030 0.000 1.994 121 L HA -0.172 4.170 4.340 0.003 0.000 0.208 121 L C 2.679 179.566 176.870 0.029 0.000 1.071 121 L CA 1.461 56.319 54.840 0.029 0.000 0.745 121 L CB -0.535 41.537 42.059 0.021 0.000 0.892 121 L HN 0.342 nan 8.230 nan 0.000 0.431 122 L N -0.884 120.354 121.223 0.025 0.000 2.156 122 L HA -0.178 4.164 4.340 0.003 0.000 0.208 122 L C 2.466 179.351 176.870 0.025 0.000 1.095 122 L CA 0.838 55.691 54.840 0.021 0.000 0.770 122 L CB -0.369 41.701 42.059 0.019 0.000 0.914 122 L HN 0.299 nan 8.230 nan 0.000 0.439 123 L N -0.352 120.890 121.223 0.031 0.000 2.027 123 L HA -0.215 4.127 4.340 0.003 0.000 0.206 123 L C 2.519 179.418 176.870 0.050 0.000 1.074 123 L CA 1.134 55.994 54.840 0.034 0.000 0.745 123 L CB -0.380 41.696 42.059 0.029 0.000 0.898 123 L HN 0.233 nan 8.230 nan 0.000 0.433 124 L N -0.512 120.750 121.223 0.065 0.000 2.187 124 L HA -0.198 4.144 4.340 0.003 0.000 0.213 124 L C 2.406 179.346 176.870 0.117 0.000 1.100 124 L CA 0.939 55.851 54.840 0.119 0.000 0.765 124 L CB -0.345 41.788 42.059 0.124 0.000 0.904 124 L HN 0.269 nan 8.230 nan 0.000 0.437 125 R N -0.259 120.272 120.500 0.051 0.000 2.334 125 R HA 0.155 4.497 4.340 0.003 0.000 0.216 125 R C 1.204 177.493 176.300 -0.019 0.000 0.905 125 R CA 0.746 56.847 56.100 0.003 0.000 1.064 125 R CB 0.183 30.480 30.300 -0.004 0.000 1.046 125 R HN 0.378 nan 8.270 nan 0.000 0.508 126 G N 0.910 109.711 108.800 0.003 0.000 2.160 126 G HA2 -0.262 3.700 3.960 0.003 0.000 0.251 126 G HA3 -0.262 3.700 3.960 0.003 0.000 0.251 126 G C 0.853 175.747 174.900 -0.011 0.000 1.008 126 G CA 0.473 45.571 45.100 -0.004 0.000 0.724 126 G HN 0.216 nan 8.290 nan 0.000 0.514 127 V N 0.541 120.452 119.914 -0.006 0.000 2.379 127 V HA -0.081 4.041 4.120 0.003 0.000 0.245 127 V C 0.897 176.996 176.094 0.009 0.000 1.044 127 V CA 2.452 64.747 62.300 -0.009 0.000 1.036 127 V CB -0.708 31.113 31.823 -0.004 0.000 0.664 127 V HN 0.371 nan 8.190 nan 0.000 0.453 128 P HA -0.214 nan 4.420 nan 0.000 0.215 128 P C 1.668 178.989 177.300 0.035 0.000 1.157 128 P CA 1.657 64.776 63.100 0.031 0.000 0.874 128 P CB 0.093 31.817 31.700 0.040 0.000 0.790 129 E N -0.774 119.446 120.200 0.033 0.000 2.072 129 E HA -0.138 4.214 4.350 0.003 0.000 0.190 129 E C 1.992 178.604 176.600 0.019 0.000 0.982 129 E CA 0.994 57.415 56.400 0.035 0.000 0.803 129 E CB -0.461 29.261 29.700 0.036 0.000 0.755 129 E HN 0.041 nan 8.360 nan 0.000 0.453 130 A N 1.211 124.027 122.820 -0.007 0.000 1.902 130 A HA -0.249 4.073 4.320 0.003 0.000 0.217 130 A C 1.944 179.526 177.584 -0.005 0.000 1.181 130 A CA 1.854 53.866 52.037 -0.042 0.000 0.623 130 A CB -0.840 18.102 19.000 -0.097 0.000 0.818 130 A HN 0.333 nan 8.150 nan 0.000 0.443 131 N N 0.256 118.976 118.700 0.033 0.000 2.084 131 N HA -0.095 4.647 4.740 0.003 0.000 0.190 131 N C 1.748 177.378 175.510 0.200 0.000 1.030 131 N CA 2.074 55.197 53.050 0.121 0.000 0.849 131 N CB -0.388 38.159 38.487 0.100 0.000 1.012 131 N HN 0.349 nan 8.380 nan 0.000 0.423 132 A N 0.578 123.456 122.820 0.096 0.000 1.883 132 A HA -0.170 4.152 4.320 0.003 0.000 0.217 132 A C 2.125 179.772 177.584 0.105 0.000 1.186 132 A CA 1.597 53.679 52.037 0.076 0.000 0.624 132 A CB -0.543 18.484 19.000 0.045 0.000 0.822 132 A HN 0.394 nan 8.150 nan 0.000 0.444 133 K N -0.487 119.962 120.400 0.082 0.000 2.057 133 K HA -0.041 4.280 4.320 0.003 0.000 0.207 133 K C 2.357 179.017 176.600 0.100 0.000 1.049 133 K CA 1.077 57.409 56.287 0.075 0.000 0.931 133 K CB -0.327 32.200 32.500 0.046 0.000 0.714 133 K HN 0.445 nan 8.250 nan 0.000 0.440 134 A N 1.105 123.986 122.820 0.102 0.000 1.877 134 A HA -0.197 4.125 4.320 0.003 0.000 0.216 134 A C 1.736 179.361 177.584 0.067 0.000 1.186 134 A CA 1.588 53.676 52.037 0.086 0.000 0.620 134 A CB -0.822 18.198 19.000 0.034 0.000 0.822 134 A HN 0.303 nan 8.150 nan 0.000 0.443 135 H N -0.419 118.680 119.070 0.048 0.000 2.422 135 H HA -0.030 4.528 4.556 0.003 0.000 0.298 135 H C 1.785 177.139 175.328 0.043 0.000 1.098 135 H CA 1.630 57.705 56.048 0.044 0.000 1.315 135 H CB -0.023 29.760 29.762 0.035 0.000 1.382 135 H HN 0.426 nan 8.280 nan 0.000 0.523 136 R N -0.131 120.462 120.500 0.156 0.000 2.320 136 R HA 0.130 4.471 4.340 0.003 0.000 0.211 136 R C 0.747 177.094 176.300 0.078 0.000 0.931 136 R CA 0.543 56.701 56.100 0.098 0.000 1.071 136 R CB 0.467 30.814 30.300 0.079 0.000 1.025 136 R HN 0.452 nan 8.270 nan 0.000 0.495 137 G N 0.772 109.622 108.800 0.082 0.000 2.136 137 G HA2 -0.244 3.718 3.960 0.003 0.000 0.242 137 G HA3 -0.244 3.718 3.960 0.003 0.000 0.242 137 G C 0.038 175.001 174.900 0.105 0.000 0.989 137 G CA -0.041 45.107 45.100 0.080 0.000 0.682 137 G HN 0.161 nan 8.290 nan 0.000 0.522 138 V N 1.200 121.185 119.914 0.118 0.000 2.394 138 V HA 0.565 4.687 4.120 0.003 0.000 0.282 138 V C 0.248 176.462 176.094 0.200 0.000 1.031 138 V CA -0.905 61.476 62.300 0.136 0.000 0.881 138 V CB 1.666 33.544 31.823 0.091 0.000 0.982 138 V HN 0.328 nan 8.190 nan 0.000 0.451 139 W N 6.281 127.586 121.300 0.008 0.000 2.314 139 W HA 0.383 5.045 4.660 0.003 0.000 0.310 139 W C -0.287 176.236 176.519 0.007 0.000 1.075 139 W CA -0.585 56.763 57.345 0.005 0.000 1.253 139 W CB 1.161 30.621 29.460 -0.001 0.000 1.238 139 W HN 0.640 nan 8.180 nan 0.000 0.440 140 N N 5.921 124.507 118.700 -0.189 0.000 2.918 140 N HA 0.042 4.784 4.740 0.003 0.000 0.270 140 N C -0.874 174.475 175.510 -0.268 0.000 1.536 140 N CA -0.124 52.841 53.050 -0.142 0.000 0.877 140 N CB 0.522 38.966 38.487 -0.072 0.000 1.190 140 N HN 0.331 nan 8.380 nan 0.000 0.492 141 K N 4.009 124.229 120.400 -0.299 0.000 2.312 141 K HA 0.256 4.577 4.320 0.003 0.000 0.287 141 K C -0.686 175.859 176.600 -0.092 0.000 1.062 141 K CA -0.258 55.884 56.287 -0.242 0.000 0.934 141 K CB 0.400 32.815 32.500 -0.143 0.000 1.027 141 K HN 0.392 nan 8.250 nan 0.000 0.478 142 L N 1.056 122.217 121.223 -0.102 0.000 2.582 142 L HA 0.556 4.898 4.340 0.003 0.000 0.257 142 L C -0.655 176.160 176.870 -0.092 0.000 0.974 142 L CA -0.654 54.143 54.840 -0.071 0.000 0.851 142 L CB 1.180 43.206 42.059 -0.056 0.000 1.424 142 L HN 0.609 nan 8.230 nan 0.000 0.412 143 A N 1.357 124.124 122.820 -0.088 0.000 2.115 143 A HA 0.619 4.941 4.320 0.003 0.000 0.211 143 A C 1.177 178.654 177.584 -0.178 0.000 1.169 143 A CA 0.690 52.652 52.037 -0.124 0.000 0.787 143 A CB -0.110 18.831 19.000 -0.098 0.000 0.858 143 A HN 1.182 nan 8.150 nan 0.000 0.474 144 A N -0.395 122.347 122.820 -0.130 0.000 2.546 144 A HA 0.419 4.741 4.320 0.003 0.000 0.243 144 A C 1.683 179.162 177.584 -0.174 0.000 1.063 144 A CA 0.694 52.653 52.037 -0.130 0.000 0.757 144 A CB -0.832 18.131 19.000 -0.061 0.000 0.991 144 A HN 1.989 nan 8.150 nan 0.000 0.503 145 G N 1.988 110.641 108.800 -0.244 0.000 2.189 145 G HA2 -0.237 3.725 3.960 0.003 0.000 0.267 145 G HA3 -0.237 3.725 3.960 0.003 0.000 0.267 145 G C 0.468 175.111 174.900 -0.429 0.000 0.975 145 G CA 0.650 45.629 45.100 -0.203 0.000 0.644 145 G HN 1.262 nan 8.290 nan 0.000 0.537 146 S N -0.134 115.211 115.700 -0.593 0.000 2.508 146 S HA 0.806 5.278 4.470 0.003 0.000 0.284 146 S C -0.608 173.546 174.600 -0.743 0.000 1.192 146 S CA -0.298 57.633 58.200 -0.448 0.000 1.070 146 S CB 1.084 64.145 63.200 -0.233 0.000 1.004 146 S HN 0.341 nan 8.310 nan 0.000 0.493 147 F N 0.814 120.759 119.950 -0.008 0.000 2.578 147 F HA 0.337 4.866 4.527 0.003 0.000 0.311 147 F C 0.426 176.221 175.800 -0.007 0.000 1.094 147 F CA -1.015 56.982 58.000 -0.005 0.000 0.923 147 F CB 1.451 40.449 39.000 -0.003 0.000 1.230 147 F HN 0.464 nan 8.300 nan 0.000 0.450 148 E N 0.871 121.173 120.200 0.169 0.000 2.404 148 E HA 0.301 4.652 4.350 0.003 0.000 0.261 148 E C 0.349 177.010 176.600 0.102 0.000 1.074 148 E CA 0.068 56.527 56.400 0.099 0.000 0.917 148 E CB 1.039 30.777 29.700 0.063 0.000 0.965 148 E HN 0.746 nan 8.360 nan 0.000 0.433 149 A N 3.150 126.001 122.820 0.051 0.000 2.072 149 A HA -0.078 4.244 4.320 0.003 0.000 0.216 149 A C 1.265 178.835 177.584 -0.024 0.000 1.156 149 A CA 0.292 52.341 52.037 0.020 0.000 0.701 149 A CB -0.064 18.943 19.000 0.012 0.000 0.816 149 A HN 0.547 nan 8.150 nan 0.000 0.458 150 R N -0.111 120.371 120.500 -0.029 0.000 2.484 150 R HA 0.293 4.635 4.340 0.003 0.000 0.293 150 R C 1.037 177.277 176.300 -0.100 0.000 1.023 150 R CA 1.029 57.080 56.100 -0.081 0.000 1.037 150 R CB -0.170 30.098 30.300 -0.053 0.000 0.951 150 R HN 0.749 nan 8.270 nan 0.000 0.418 151 G N 3.032 111.680 108.800 -0.253 0.000 2.175 151 G HA2 -0.210 3.752 3.960 0.003 0.000 0.244 151 G HA3 -0.210 3.752 3.960 0.003 0.000 0.244 151 G C -0.278 174.584 174.900 -0.064 0.000 0.982 151 G CA 0.008 44.965 45.100 -0.238 0.000 0.641 151 G HN 0.519 nan 8.290 nan 0.000 0.527 152 K N 0.438 120.791 120.400 -0.078 0.000 2.090 152 K HA 0.530 4.852 4.320 0.003 0.000 0.249 152 K C 0.299 176.961 176.600 0.104 0.000 0.995 152 K CA -0.484 55.817 56.287 0.023 0.000 0.914 152 K CB 0.923 33.414 32.500 -0.015 0.000 1.057 152 K HN 0.251 nan 8.250 nan 0.000 0.462 153 K N 1.611 122.106 120.400 0.159 0.000 2.264 153 K HA 0.240 4.562 4.320 0.003 0.000 0.277 153 K C -0.460 176.243 176.600 0.172 0.000 1.067 153 K CA -0.747 55.689 56.287 0.247 0.000 0.900 153 K CB 0.736 33.357 32.500 0.201 0.000 1.124 153 K HN 0.186 nan 8.250 nan 0.000 0.469 154 L N 2.392 123.738 121.223 0.205 0.000 2.275 154 L HA 0.418 4.760 4.340 0.003 0.000 0.288 154 L C -0.104 176.906 176.870 0.233 0.000 1.046 154 L CA 0.144 55.084 54.840 0.168 0.000 0.805 154 L CB 1.209 43.351 42.059 0.138 0.000 1.193 154 L HN 0.650 nan 8.230 nan 0.000 0.426 155 G N 6.539 115.448 108.800 0.182 0.000 2.347 155 G HA2 0.556 4.518 3.960 0.003 0.000 0.314 155 G HA3 0.556 4.518 3.960 0.003 0.000 0.314 155 G C -0.689 174.332 174.900 0.202 0.000 1.126 155 G CA -0.438 44.781 45.100 0.199 0.000 0.929 155 G HN 0.616 nan 8.290 nan 0.000 0.441 156 I N 2.700 123.436 120.570 0.276 0.000 2.336 156 I HA 0.314 4.486 4.170 0.003 0.000 0.292 156 I C -0.144 176.168 176.117 0.326 0.000 0.991 156 I CA -0.537 60.948 61.300 0.309 0.000 1.227 156 I CB 1.825 40.052 38.000 0.379 0.000 1.366 156 I HN 0.251 nan 8.210 nan 0.000 0.466 157 I N 5.993 126.715 120.570 0.255 0.000 2.307 157 I HA 0.493 4.665 4.170 0.003 0.000 0.289 157 I C 0.476 176.741 176.117 0.247 0.000 1.021 157 I CA -0.267 61.196 61.300 0.272 0.000 1.224 157 I CB 1.139 39.260 38.000 0.202 0.000 1.376 157 I HN 0.835 nan 8.210 nan 0.000 0.470 158 G N 4.966 113.924 108.800 0.263 0.000 3.081 158 G HA2 -0.274 3.687 3.960 0.003 0.000 0.603 158 G HA3 -0.274 3.687 3.960 0.003 0.000 0.603 158 G C -0.987 174.043 174.900 0.217 0.000 1.106 158 G CA -0.786 44.438 45.100 0.207 0.000 1.001 158 G HN 0.600 nan 8.290 nan 0.000 0.445 159 Y N 3.211 123.495 120.300 -0.026 0.000 2.849 159 Y HA 0.529 5.080 4.550 0.001 0.000 0.356 159 Y C 1.089 176.850 175.900 -0.232 0.000 1.236 159 Y CA 0.343 58.302 58.100 -0.235 0.000 1.508 159 Y CB 0.049 38.102 38.460 -0.678 0.000 1.619 159 Y HN 0.707 nan 8.280 nan 0.000 0.513 160 G N 0.367 109.034 108.800 -0.222 0.000 3.194 160 G HA2 0.044 4.006 3.960 0.003 0.000 0.160 160 G HA3 0.044 4.006 3.960 0.003 0.000 0.160 160 G C 0.275 174.946 174.900 -0.381 0.000 1.267 160 G CA -0.225 44.720 45.100 -0.259 0.000 0.962 160 G HN 0.510 nan 8.290 nan 0.000 0.612 161 H N -0.653 118.244 119.070 -0.289 0.000 2.321 161 H HA 0.030 4.588 4.556 0.003 0.000 0.300 161 H C 2.495 177.664 175.328 -0.264 0.000 1.087 161 H CA 1.963 57.829 56.048 -0.303 0.000 1.319 161 H CB 0.001 29.580 29.762 -0.306 0.000 1.379 161 H HN 0.214 nan 8.280 nan 0.000 0.501 162 I N -0.649 119.863 120.570 -0.097 0.000 2.400 162 I HA -0.076 4.096 4.170 0.003 0.000 0.248 162 I C 2.714 178.603 176.117 -0.380 0.000 1.109 162 I CA 0.855 62.015 61.300 -0.233 0.000 1.425 162 I CB -0.410 37.443 38.000 -0.246 0.000 1.094 162 I HN 0.337 nan 8.210 nan 0.000 0.425 163 G N 0.580 109.189 108.800 -0.319 0.000 2.469 163 G HA2 -0.257 3.705 3.960 0.003 0.000 0.219 163 G HA3 -0.257 3.705 3.960 0.003 0.000 0.219 163 G C 1.651 176.318 174.900 -0.388 0.000 1.150 163 G CA 1.633 46.599 45.100 -0.223 0.000 0.763 163 G HN 0.261 nan 8.290 nan 0.000 0.561 164 T N 0.413 114.528 114.554 -0.730 0.000 2.643 164 T HA -0.167 4.185 4.350 0.003 0.000 0.264 164 T C 2.357 176.835 174.700 -0.371 0.000 1.045 164 T CA 1.784 63.370 62.100 -0.857 0.000 1.155 164 T CB -0.291 68.071 68.868 -0.844 0.000 0.863 164 T HN 0.362 nan 8.240 nan 0.000 0.420 165 Q N 0.700 120.329 119.800 -0.284 0.000 2.096 165 Q HA -0.106 4.236 4.340 0.003 0.000 0.204 165 Q C 2.118 178.043 176.000 -0.126 0.000 0.982 165 Q CA 1.327 57.027 55.803 -0.171 0.000 0.850 165 Q CB -0.739 27.914 28.738 -0.140 0.000 0.901 165 Q HN 0.444 nan 8.270 nan 0.000 0.422 166 L N -0.152 120.982 121.223 -0.147 0.000 1.989 166 L HA -0.014 4.328 4.340 0.003 0.000 0.211 166 L C 2.119 178.981 176.870 -0.013 0.000 1.071 166 L CA 2.642 57.433 54.840 -0.081 0.000 0.749 166 L CB -1.344 40.651 42.059 -0.106 0.000 0.890 166 L HN 0.303 nan 8.230 nan 0.000 0.431 167 G N -0.203 108.609 108.800 0.020 0.000 2.469 167 G HA2 -0.302 3.660 3.960 0.003 0.000 0.219 167 G HA3 -0.302 3.660 3.960 0.003 0.000 0.219 167 G C 1.681 176.604 174.900 0.038 0.000 1.150 167 G CA 1.339 46.490 45.100 0.085 0.000 0.763 167 G HN 0.508 nan 8.290 nan 0.000 0.561 168 I N 0.205 120.773 120.570 -0.002 0.000 2.226 168 I HA -0.142 4.030 4.170 0.003 0.000 0.245 168 I C 2.734 178.843 176.117 -0.012 0.000 1.100 168 I CA 0.739 62.032 61.300 -0.012 0.000 1.374 168 I CB -0.119 37.858 38.000 -0.039 0.000 1.057 168 I HN 0.150 nan 8.210 nan 0.000 0.413 169 L N 0.053 121.265 121.223 -0.017 0.000 2.056 169 L HA -0.167 4.175 4.340 0.003 0.000 0.207 169 L C 2.850 179.715 176.870 -0.008 0.000 1.078 169 L CA 1.242 56.074 54.840 -0.014 0.000 0.749 169 L CB -0.750 41.299 42.059 -0.016 0.000 0.901 169 L HN 0.235 nan 8.230 nan 0.000 0.433 170 A N -0.048 122.774 122.820 0.002 0.000 1.908 170 A HA -0.244 4.077 4.320 0.003 0.000 0.218 170 A C 2.147 179.721 177.584 -0.017 0.000 1.181 170 A CA 1.762 53.801 52.037 0.002 0.000 0.627 170 A CB -0.489 18.528 19.000 0.028 0.000 0.818 170 A HN 0.440 nan 8.150 nan 0.000 0.445 171 E N -0.107 120.087 120.200 -0.009 0.000 2.110 171 E HA -0.121 4.230 4.350 0.003 0.000 0.193 171 E C 2.237 178.820 176.600 -0.028 0.000 0.988 171 E CA 1.190 57.578 56.400 -0.021 0.000 0.804 171 E CB -0.164 29.535 29.700 -0.001 0.000 0.745 171 E HN 0.603 nan 8.360 nan 0.000 0.458 172 S N 0.785 116.473 115.700 -0.020 0.000 2.419 172 S HA -0.128 4.344 4.470 0.003 0.000 0.235 172 S C 1.470 176.054 174.600 -0.027 0.000 1.019 172 S CA 0.752 58.940 58.200 -0.020 0.000 0.982 172 S CB -0.001 63.190 63.200 -0.015 0.000 0.789 172 S HN 0.101 nan 8.310 nan 0.000 0.490 173 L N 0.820 122.023 121.223 -0.033 0.000 2.611 173 L HA 0.335 4.677 4.340 0.003 0.000 0.229 173 L C 1.291 178.120 176.870 -0.068 0.000 1.137 173 L CA 0.491 55.307 54.840 -0.038 0.000 0.901 173 L CB -1.356 40.685 42.059 -0.030 0.000 1.098 173 L HN 0.372 nan 8.230 nan 0.000 0.456 177 V N 4.222 124.098 119.914 -0.064 0.000 2.409 177 V HA 0.566 4.687 4.120 0.003 0.000 0.291 177 V C -1.125 174.751 176.094 -0.363 0.000 1.020 177 V CA -0.956 61.314 62.300 -0.050 0.000 0.848 177 V CB 1.215 33.058 31.823 0.033 0.000 0.990 177 V HN 0.656 nan 8.190 nan 0.000 0.430 178 Y N 4.990 125.366 120.300 0.126 0.000 2.499 178 Y HA 0.787 5.339 4.550 0.003 0.000 0.347 178 Y C -0.266 175.716 175.900 0.137 0.000 0.987 178 Y CA -0.984 57.146 58.100 0.050 0.000 1.044 178 Y CB 2.195 40.661 38.460 0.010 0.000 1.245 178 Y HN 0.674 nan 8.280 nan 0.000 0.461 179 F N 0.518 120.505 119.950 0.061 0.000 2.601 179 F HA 0.663 5.191 4.527 0.001 0.000 0.309 179 F C -2.061 173.793 175.800 0.091 0.000 1.089 179 F CA -1.721 56.300 58.000 0.035 0.000 0.940 179 F CB 1.332 40.234 39.000 -0.163 0.000 1.273 179 F HN 0.415 nan 8.300 nan 0.000 0.450 180 Y N 2.672 123.081 120.300 0.180 0.000 2.341 180 Y HA 0.576 5.129 4.550 0.005 0.000 0.338 180 Y C -1.423 174.611 175.900 0.222 0.000 0.965 180 Y CA -0.577 57.582 58.100 0.098 0.000 1.108 180 Y CB 1.116 39.609 38.460 0.055 0.000 1.180 180 Y HN 0.894 nan 8.280 nan 0.000 0.458 181 D N 5.028 125.168 120.400 -0.434 0.000 2.581 181 D HA 0.214 4.856 4.640 0.003 0.000 0.232 181 D C 0.684 176.644 176.300 -0.566 0.000 1.143 181 D CA -0.456 53.363 54.000 -0.302 0.000 0.881 181 D CB 1.897 42.736 40.800 0.066 0.000 1.500 181 D HN 0.755 nan 8.370 nan 0.000 0.458 182 I N -0.756 119.626 120.570 -0.314 0.000 2.928 182 I HA 0.103 4.274 4.170 0.003 0.000 0.266 182 I C 0.683 176.732 176.117 -0.114 0.000 1.234 182 I CA 0.302 61.478 61.300 -0.206 0.000 1.483 182 I CB -0.133 37.833 38.000 -0.055 0.000 1.097 182 I HN 0.237 nan 8.210 nan 0.000 0.455 183 E N 1.017 121.171 120.200 -0.077 0.000 2.277 183 E HA 0.390 4.742 4.350 0.003 0.000 0.266 183 E C -0.902 175.691 176.600 -0.012 0.000 0.901 183 E CA -0.969 55.410 56.400 -0.035 0.000 0.782 183 E CB 0.802 30.497 29.700 -0.008 0.000 1.228 183 E HN 0.029 nan 8.360 nan 0.000 0.424 184 N N 2.456 121.152 118.700 -0.006 0.000 2.468 184 N HA 0.063 4.804 4.740 0.003 0.000 0.265 184 N C -0.650 174.900 175.510 0.067 0.000 1.199 184 N CA 0.210 53.272 53.050 0.020 0.000 0.928 184 N CB 0.604 39.090 38.487 -0.002 0.000 1.059 184 N HN 0.349 nan 8.380 nan 0.000 0.467 185 K N 1.601 122.095 120.400 0.156 0.000 2.221 185 K HA 0.373 4.695 4.320 0.003 0.000 0.243 185 K C -0.273 176.440 176.600 0.189 0.000 0.968 185 K CA -0.924 55.470 56.287 0.178 0.000 0.846 185 K CB 2.002 34.648 32.500 0.243 0.000 1.141 185 K HN 0.358 nan 8.250 nan 0.000 0.434 186 L N 3.785 125.084 121.223 0.126 0.000 2.315 186 L HA 0.257 4.599 4.340 0.003 0.000 0.283 186 L C -2.291 174.678 176.870 0.165 0.000 1.089 186 L CA -1.289 53.619 54.840 0.112 0.000 0.833 186 L CB 0.610 42.700 42.059 0.053 0.000 1.170 186 L HN 0.301 nan 8.230 nan 0.000 0.442 187 P HA 0.127 nan 4.420 nan 0.000 0.271 187 P C -1.023 176.358 177.300 0.136 0.000 1.216 187 P CA -0.142 63.069 63.100 0.184 0.000 0.776 187 P CB 0.525 32.329 31.700 0.173 0.000 0.881 188 L N 2.228 123.554 121.223 0.171 0.000 2.343 188 L HA 0.476 4.818 4.340 0.003 0.000 0.275 188 L C 1.493 178.407 176.870 0.074 0.000 1.056 188 L CA 0.166 55.062 54.840 0.093 0.000 0.804 188 L CB 0.599 42.694 42.059 0.061 0.000 1.203 188 L HN 0.748 nan 8.230 nan 0.000 0.440 189 G N 3.655 112.478 108.800 0.038 0.000 2.596 189 G HA2 -0.367 3.595 3.960 0.003 0.000 0.295 189 G HA3 -0.367 3.595 3.960 0.003 0.000 0.295 189 G C 0.397 175.312 174.900 0.024 0.000 1.240 189 G CA 0.576 45.692 45.100 0.027 0.000 0.985 189 G HN 0.809 nan 8.290 nan 0.000 0.555 190 N N 1.840 120.550 118.700 0.017 0.000 2.327 190 N HA 0.493 5.235 4.740 0.003 0.000 0.231 190 N C 0.718 176.204 175.510 -0.040 0.000 1.130 190 N CA 0.058 53.106 53.050 -0.004 0.000 0.845 190 N CB 0.414 38.906 38.487 0.008 0.000 1.073 190 N HN 0.849 nan 8.380 nan 0.000 0.496 191 A N 0.579 123.398 122.820 -0.002 0.000 2.406 191 A HA 0.336 4.658 4.320 0.003 0.000 0.243 191 A C 0.270 177.813 177.584 -0.068 0.000 1.082 191 A CA 0.419 52.447 52.037 -0.015 0.000 0.786 191 A CB 0.393 19.454 19.000 0.102 0.000 1.029 191 A HN 0.118 nan 8.150 nan 0.000 0.495 192 T N 1.637 116.069 114.554 -0.204 0.000 2.937 192 T HA 0.354 4.706 4.350 0.003 0.000 0.297 192 T C -0.454 173.893 174.700 -0.588 0.000 0.991 192 T CA -0.314 61.611 62.100 -0.291 0.000 0.990 192 T CB 1.182 69.881 68.868 -0.281 0.000 0.991 192 T HN 0.723 nan 8.240 nan 0.000 0.440 193 Q N 2.840 122.115 119.800 -0.875 0.000 2.296 193 Q HA 0.422 4.763 4.340 0.003 0.000 0.262 193 Q C -0.782 174.933 176.000 -0.475 0.000 0.981 193 Q CA -0.338 54.737 55.803 -1.212 0.000 0.905 193 Q CB 0.528 28.655 28.738 -1.018 0.000 1.186 193 Q HN 0.472 nan 8.270 nan 0.000 0.399 194 V N 5.026 124.746 119.914 -0.323 0.000 2.383 194 V HA 0.023 4.145 4.120 0.003 0.000 0.275 194 V C 0.679 176.739 176.094 -0.056 0.000 1.036 194 V CA -0.431 61.807 62.300 -0.103 0.000 0.889 194 V CB 1.353 33.169 31.823 -0.012 0.000 0.985 194 V HN 0.884 nan 8.190 nan 0.000 0.459 195 Q N 2.404 122.132 119.800 -0.119 0.000 2.083 195 Q HA -0.021 4.321 4.340 0.003 0.000 0.198 195 Q C 0.675 176.561 176.000 -0.191 0.000 0.969 195 Q CA 1.535 57.207 55.803 -0.219 0.000 0.838 195 Q CB 0.071 28.584 28.738 -0.375 0.000 0.900 195 Q HN 0.756 nan 8.270 nan 0.000 0.436 196 H N 0.051 119.178 119.070 0.095 0.000 2.517 196 H HA 0.066 4.624 4.556 0.004 0.000 0.317 196 H C 0.739 175.997 175.328 -0.116 0.000 1.080 196 H CA -0.349 55.715 56.048 0.025 0.000 1.301 196 H CB 1.428 31.177 29.762 -0.020 0.000 1.425 196 H HN 0.113 nan 8.280 nan 0.000 0.471 197 L N 3.572 124.612 121.223 -0.305 0.000 2.131 197 L HA -0.193 4.148 4.340 0.003 0.000 0.210 197 L C 2.074 178.797 176.870 -0.246 0.000 1.092 197 L CA 1.683 56.157 54.840 -0.611 0.000 0.759 197 L CB -0.495 40.912 42.059 -1.086 0.000 0.903 197 L HN 0.612 nan 8.230 nan 0.000 0.435 198 S N -1.164 114.452 115.700 -0.140 0.000 2.370 198 S HA -0.214 4.258 4.470 0.003 0.000 0.226 198 S C 1.692 176.251 174.600 -0.070 0.000 1.033 198 S CA 1.287 59.433 58.200 -0.090 0.000 1.011 198 S CB -0.873 62.282 63.200 -0.074 0.000 0.852 198 S HN 0.537 nan 8.310 nan 0.000 0.457 199 D N 1.683 122.057 120.400 -0.043 0.000 2.097 199 D HA -0.017 4.625 4.640 0.003 0.000 0.195 199 D C 1.963 178.211 176.300 -0.086 0.000 0.989 199 D CA 0.952 54.920 54.000 -0.052 0.000 0.827 199 D CB -0.517 40.274 40.800 -0.015 0.000 0.966 199 D HN 0.375 nan 8.370 nan 0.000 0.456 200 L N 0.556 121.734 121.223 -0.074 0.000 2.042 200 L HA -0.167 4.175 4.340 0.003 0.000 0.210 200 L C 2.323 179.152 176.870 -0.068 0.000 1.076 200 L CA 1.140 55.940 54.840 -0.068 0.000 0.749 200 L CB -0.186 41.873 42.059 -0.000 0.000 0.893 200 L HN -0.016 nan 8.230 nan 0.000 0.432 201 L N -0.462 120.721 121.223 -0.067 0.000 2.056 201 L HA -0.156 4.186 4.340 0.003 0.000 0.207 201 L C 1.286 178.124 176.870 -0.053 0.000 1.078 201 L CA 0.222 55.031 54.840 -0.052 0.000 0.749 201 L CB -0.894 41.135 42.059 -0.050 0.000 0.901 201 L HN 0.336 nan 8.230 nan 0.000 0.433 205 D N 0.731 121.112 120.400 -0.031 0.000 2.249 205 D HA 0.081 4.723 4.640 0.003 0.000 0.205 205 D C 0.344 176.620 176.300 -0.040 0.000 0.962 205 D CA 1.196 55.157 54.000 -0.064 0.000 0.860 205 D CB 0.450 41.202 40.800 -0.080 0.000 0.955 205 D HN 0.270 nan 8.370 nan 0.000 0.505 206 V N 1.552 121.465 119.914 -0.001 0.000 2.577 206 V HA 0.282 4.404 4.120 0.003 0.000 0.303 206 V C -0.118 175.994 176.094 0.030 0.000 1.042 206 V CA -0.849 61.458 62.300 0.011 0.000 0.872 206 V CB 2.664 34.505 31.823 0.030 0.000 0.998 206 V HN -0.276 nan 8.190 nan 0.000 0.423 207 V N 3.123 123.045 119.914 0.014 0.000 2.435 207 V HA 0.741 4.863 4.120 0.003 0.000 0.290 207 V C 0.064 176.163 176.094 0.008 0.000 1.030 207 V CA -0.185 62.128 62.300 0.023 0.000 0.881 207 V CB 1.858 33.683 31.823 0.002 0.000 0.983 207 V HN 0.907 nan 8.190 nan 0.000 0.445 208 S N 4.980 120.692 115.700 0.020 0.000 2.571 208 S HA 0.752 5.224 4.470 0.003 0.000 0.284 208 S C -1.189 173.302 174.600 -0.182 0.000 1.128 208 S CA -0.550 57.614 58.200 -0.059 0.000 0.970 208 S CB 1.067 64.298 63.200 0.051 0.000 1.039 208 S HN 0.556 nan 8.310 nan 0.000 0.485 209 L N 5.165 126.149 121.223 -0.398 0.000 2.295 209 L HA 0.604 4.946 4.340 0.003 0.000 0.285 209 L C -0.164 176.294 176.870 -0.686 0.000 1.035 209 L CA -0.560 54.074 54.840 -0.342 0.000 0.806 209 L CB 1.175 43.121 42.059 -0.188 0.000 1.214 209 L HN 0.739 nan 8.230 nan 0.000 0.426 210 H N 2.997 122.104 119.070 0.061 0.000 3.038 210 H HA 0.256 4.813 4.556 0.003 0.000 0.223 210 H C -0.620 174.747 175.328 0.065 0.000 1.400 210 H CA -0.161 55.919 56.048 0.054 0.000 1.153 210 H CB 0.693 30.484 29.762 0.048 0.000 2.234 210 H HN 0.355 nan 8.280 nan 0.000 0.541 211 V N -0.992 118.992 119.914 0.117 0.000 2.975 211 V HA 0.710 4.832 4.120 0.003 0.000 0.318 211 V C -2.170 173.979 176.094 0.092 0.000 1.077 211 V CA -2.167 60.197 62.300 0.107 0.000 1.000 211 V CB 2.121 33.999 31.823 0.090 0.000 1.066 211 V HN -0.012 nan 8.190 nan 0.000 0.452 212 P HA 0.332 nan 4.420 nan 0.000 0.289 212 P C -0.972 176.364 177.300 0.059 0.000 1.299 212 P CA -0.398 62.749 63.100 0.079 0.000 0.766 212 P CB 0.616 32.366 31.700 0.083 0.000 1.226 213 E N 0.634 120.865 120.200 0.053 0.000 2.081 213 E HA 0.317 4.669 4.350 0.003 0.000 0.276 213 E C -0.714 175.912 176.600 0.043 0.000 0.950 213 E CA -0.418 56.008 56.400 0.044 0.000 0.776 213 E CB -0.088 29.638 29.700 0.043 0.000 1.094 213 E HN 0.468 nan 8.360 nan 0.000 0.402 214 N N 2.766 121.491 118.700 0.042 0.000 3.261 214 N HA 0.257 4.999 4.740 0.003 0.000 0.248 214 N C -2.644 172.888 175.510 0.038 0.000 1.498 214 N CA -1.266 51.808 53.050 0.039 0.000 0.884 214 N CB 0.549 39.061 38.487 0.042 0.000 1.428 214 N HN -0.001 nan 8.380 nan 0.000 0.517 215 P HA -0.253 nan 4.420 nan 0.000 0.218 215 P C 1.287 178.609 177.300 0.038 0.000 1.154 215 P CA 2.780 65.900 63.100 0.033 0.000 0.872 215 P CB -0.065 31.654 31.700 0.031 0.000 0.790 216 S N -1.231 114.496 115.700 0.044 0.000 2.402 216 S HA -0.128 4.343 4.470 0.003 0.000 0.229 216 S C 1.820 176.455 174.600 0.057 0.000 1.021 216 S CA 1.964 60.196 58.200 0.053 0.000 0.974 216 S CB -1.694 61.543 63.200 0.060 0.000 0.800 216 S HN 0.347 nan 8.310 nan 0.000 0.484 217 T N -2.134 112.451 114.554 0.052 0.000 3.040 217 T HA 0.307 4.659 4.350 0.003 0.000 0.250 217 T C 0.440 175.161 174.700 0.035 0.000 1.058 217 T CA -0.284 61.846 62.100 0.050 0.000 0.988 217 T CB -0.261 68.639 68.868 0.052 0.000 0.993 217 T HN 0.265 nan 8.240 nan 0.000 0.519 218 K N 2.984 123.403 120.400 0.033 0.000 2.436 218 K HA 0.140 4.462 4.320 0.003 0.000 0.282 218 K C 0.162 176.775 176.600 0.022 0.000 1.044 218 K CA 0.165 56.468 56.287 0.027 0.000 1.028 218 K CB -1.062 31.454 32.500 0.027 0.000 0.919 218 K HN 0.568 nan 8.250 nan 0.000 0.474 223 A N -0.038 122.775 122.820 -0.012 0.000 1.917 223 A HA -0.086 4.235 4.320 0.003 0.000 0.219 223 A C 2.187 179.752 177.584 -0.031 0.000 1.182 223 A CA 2.705 54.730 52.037 -0.020 0.000 0.633 223 A CB -0.635 18.354 19.000 -0.020 0.000 0.819 223 A HN 0.853 nan 8.150 nan 0.000 0.448 224 K N -0.372 120.010 120.400 -0.030 0.000 2.009 224 K HA -0.247 4.075 4.320 0.003 0.000 0.210 224 K C 1.848 178.427 176.600 -0.035 0.000 1.049 224 K CA 2.005 58.271 56.287 -0.036 0.000 0.929 224 K CB -0.236 32.246 32.500 -0.031 0.000 0.714 224 K HN 0.407 nan 8.250 nan 0.000 0.440 225 E N 0.758 120.941 120.200 -0.028 0.000 2.077 225 E HA -0.120 4.232 4.350 0.003 0.000 0.193 225 E C 1.937 178.533 176.600 -0.007 0.000 0.989 225 E CA 1.449 57.832 56.400 -0.028 0.000 0.800 225 E CB -0.109 29.572 29.700 -0.032 0.000 0.746 225 E HN 0.394 nan 8.360 nan 0.000 0.452 226 I N 0.735 121.307 120.570 0.003 0.000 2.361 226 I HA -0.253 3.919 4.170 0.003 0.000 0.251 226 I C 2.191 178.360 176.117 0.087 0.000 1.133 226 I CA 1.313 62.640 61.300 0.045 0.000 1.413 226 I CB -0.325 37.696 38.000 0.034 0.000 1.073 226 I HN 0.139 nan 8.210 nan 0.000 0.424 227 S N 0.619 116.301 115.700 -0.030 0.000 2.461 227 S HA 0.054 4.525 4.470 0.003 0.000 0.228 227 S C 1.053 175.632 174.600 -0.036 0.000 1.005 227 S CA 0.068 58.162 58.200 -0.177 0.000 0.942 227 S CB -0.527 62.554 63.200 -0.199 0.000 0.776 227 S HN 0.231 nan 8.310 nan 0.000 0.514 231 P HA 0.102 nan 4.420 nan 0.000 0.264 231 P C 0.296 177.476 177.300 -0.201 0.000 1.193 231 P CA 1.334 64.266 63.100 -0.280 0.000 0.763 231 P CB 0.748 32.413 31.700 -0.058 0.000 0.810 232 G N 1.835 110.508 108.800 -0.210 0.000 2.159 232 G HA2 -0.243 3.719 3.960 0.003 0.000 0.256 232 G HA3 -0.243 3.719 3.960 0.003 0.000 0.256 232 G C 0.439 175.271 174.900 -0.113 0.000 0.977 232 G CA 0.310 45.348 45.100 -0.104 0.000 0.652 232 G HN 0.760 nan 8.290 nan 0.000 0.531 233 S N -0.678 114.919 115.700 -0.172 0.000 2.634 233 S HA 0.776 5.248 4.470 0.003 0.000 0.261 233 S C 0.179 174.722 174.600 -0.094 0.000 1.271 233 S CA -0.442 57.681 58.200 -0.128 0.000 0.985 233 S CB 1.638 64.758 63.200 -0.132 0.000 0.968 233 S HN 0.783 nan 8.310 nan 0.000 0.568 234 L N 0.659 121.845 121.223 -0.061 0.000 2.365 234 L HA 0.599 4.941 4.340 0.003 0.000 0.273 234 L C -0.991 175.856 176.870 -0.038 0.000 1.000 234 L CA -0.980 53.835 54.840 -0.042 0.000 0.819 234 L CB 1.733 43.782 42.059 -0.016 0.000 1.284 234 L HN 0.558 nan 8.230 nan 0.000 0.418 235 L N 3.941 125.138 121.223 -0.043 0.000 2.307 235 L HA 0.627 4.968 4.340 0.003 0.000 0.284 235 L C -0.788 176.055 176.870 -0.045 0.000 1.023 235 L CA -0.014 54.800 54.840 -0.043 0.000 0.810 235 L CB 1.410 43.439 42.059 -0.050 0.000 1.231 235 L HN 0.383 nan 8.230 nan 0.000 0.423 236 I N 4.900 125.440 120.570 -0.051 0.000 2.418 236 I HA 0.364 4.536 4.170 0.003 0.000 0.287 236 I C -0.602 175.447 176.117 -0.114 0.000 1.008 236 I CA -0.467 60.796 61.300 -0.063 0.000 1.104 236 I CB 1.688 39.671 38.000 -0.029 0.000 1.264 236 I HN 0.633 nan 8.210 nan 0.000 0.438 237 N N 5.142 123.762 118.700 -0.134 0.000 2.524 237 N HA 0.557 5.299 4.740 0.003 0.000 0.261 237 N C -0.403 174.994 175.510 -0.189 0.000 0.998 237 N CA -0.130 52.812 53.050 -0.179 0.000 0.915 237 N CB 1.599 39.979 38.487 -0.177 0.000 1.187 237 N HN 0.764 nan 8.380 nan 0.000 0.507 238 A N 2.432 125.157 122.820 -0.158 0.000 2.616 238 A HA 0.182 4.504 4.320 0.003 0.000 0.294 238 A C 1.022 178.569 177.584 -0.062 0.000 1.091 238 A CA -0.257 51.715 52.037 -0.109 0.000 0.971 238 A CB -0.149 18.846 19.000 -0.008 0.000 1.222 238 A HN 0.646 nan 8.150 nan 0.000 0.521 239 S N 0.044 115.684 115.700 -0.100 0.000 2.356 239 S HA 0.417 4.889 4.470 0.003 0.000 0.179 239 S C 0.717 175.277 174.600 -0.067 0.000 0.940 239 S CA -0.013 58.169 58.200 -0.031 0.000 0.955 239 S CB 0.103 63.286 63.200 -0.027 0.000 0.861 239 S HN 0.314 nan 8.310 nan 0.000 0.527 240 R N 0.085 120.541 120.500 -0.073 0.000 2.807 240 R HA 0.525 4.866 4.340 0.003 0.000 0.276 240 R C 1.091 177.341 176.300 -0.084 0.000 0.979 240 R CA -0.103 55.961 56.100 -0.060 0.000 0.928 240 R CB 1.129 31.428 30.300 -0.001 0.000 1.191 240 R HN 0.571 nan 8.270 nan 0.000 0.471 241 G N -0.194 108.572 108.800 -0.058 0.000 2.559 241 G HA2 -0.198 3.764 3.960 0.003 0.000 0.216 241 G HA3 -0.198 3.764 3.960 0.003 0.000 0.216 241 G C 0.866 175.766 174.900 -0.000 0.000 1.126 241 G CA 1.203 46.280 45.100 -0.038 0.000 0.778 241 G HN 0.626 nan 8.290 nan 0.000 0.543 242 T N -2.749 111.809 114.554 0.006 0.000 3.054 242 T HA 0.253 4.605 4.350 0.003 0.000 0.255 242 T C 1.884 176.589 174.700 0.008 0.000 1.035 242 T CA 0.226 62.338 62.100 0.020 0.000 0.941 242 T CB 0.764 69.650 68.868 0.030 0.000 1.026 242 T HN -0.048 nan 8.240 nan 0.000 0.533 243 V N 1.186 121.094 119.914 -0.011 0.000 2.649 243 V HA 0.152 4.274 4.120 0.003 0.000 0.248 243 V C 0.975 177.060 176.094 -0.015 0.000 1.054 243 V CA 0.605 62.898 62.300 -0.011 0.000 1.073 243 V CB 0.126 31.936 31.823 -0.023 0.000 0.699 243 V HN 0.417 nan 8.190 nan 0.000 0.463 244 V N 0.849 120.747 119.914 -0.026 0.000 2.459 244 V HA 0.332 4.453 4.120 0.003 0.000 0.295 244 V C -0.321 175.772 176.094 -0.002 0.000 1.029 244 V CA -0.879 61.408 62.300 -0.022 0.000 0.874 244 V CB 1.724 33.521 31.823 -0.043 0.000 0.985 244 V HN 0.276 nan 8.190 nan 0.000 0.438 245 D N 4.333 124.735 120.400 0.003 0.000 2.348 245 D HA 0.092 4.733 4.640 0.003 0.000 0.259 245 D C 1.013 177.325 176.300 0.019 0.000 1.296 245 D CA -0.125 53.883 54.000 0.014 0.000 0.931 245 D CB 0.796 41.602 40.800 0.010 0.000 1.067 245 D HN 0.310 nan 8.370 nan 0.000 0.503 246 I N 5.466 126.058 120.570 0.038 0.000 2.353 246 I HA -0.109 4.062 4.170 0.003 0.000 0.248 246 I C -0.749 175.401 176.117 0.056 0.000 1.119 246 I CA 0.459 61.792 61.300 0.055 0.000 1.417 246 I CB -1.992 36.072 38.000 0.107 0.000 1.078 246 I HN 0.365 nan 8.210 nan 0.000 0.421 247 P HA -0.099 nan 4.420 nan 0.000 0.216 247 P C 1.730 179.054 177.300 0.039 0.000 1.150 247 P CA 1.786 64.918 63.100 0.054 0.000 0.837 247 P CB 0.039 31.765 31.700 0.044 0.000 0.786 248 A N -0.540 122.294 122.820 0.023 0.000 1.933 248 A HA -0.179 4.142 4.320 0.003 0.000 0.218 248 A C 2.125 179.708 177.584 -0.002 0.000 1.175 248 A CA 1.509 53.551 52.037 0.010 0.000 0.628 248 A CB -1.654 17.348 19.000 0.003 0.000 0.814 248 A HN 0.177 nan 8.150 nan 0.000 0.444 249 L N -0.111 121.106 121.223 -0.010 0.000 2.017 249 L HA -0.161 4.181 4.340 0.003 0.000 0.208 249 L C 2.423 179.235 176.870 -0.097 0.000 1.073 249 L CA 2.218 57.032 54.840 -0.044 0.000 0.745 249 L CB -1.038 40.995 42.059 -0.042 0.000 0.894 249 L HN 0.446 nan 8.230 nan 0.000 0.432 250 C N 0.208 119.475 119.300 -0.055 0.000 2.401 250 C HA -0.187 4.274 4.460 0.003 0.000 0.276 250 C C 2.337 177.331 174.990 0.007 0.000 1.233 250 C CA 1.053 60.044 59.018 -0.045 0.000 1.753 250 C CB -1.281 26.572 27.740 0.190 0.000 2.029 250 C HN 0.609 nan 8.230 nan 0.000 0.478 251 D N 0.677 121.098 120.400 0.035 0.000 2.178 251 D HA -0.047 4.594 4.640 0.003 0.000 0.201 251 D C 2.223 178.537 176.300 0.024 0.000 0.980 251 D CA 1.573 55.601 54.000 0.047 0.000 0.842 251 D CB -0.439 40.380 40.800 0.032 0.000 0.948 251 D HN 0.531 nan 8.370 nan 0.000 0.472 252 A N -0.071 122.746 122.820 -0.005 0.000 2.016 252 A HA 0.015 4.337 4.320 0.003 0.000 0.217 252 A C 2.226 179.806 177.584 -0.007 0.000 1.162 252 A CA 0.506 52.559 52.037 0.027 0.000 0.662 252 A CB -0.377 18.653 19.000 0.050 0.000 0.812 252 A HN 0.180 nan 8.150 nan 0.000 0.450 253 L N -1.158 119.986 121.223 -0.132 0.000 2.127 253 L HA -0.028 4.314 4.340 0.003 0.000 0.203 253 L C 3.016 179.862 176.870 -0.039 0.000 1.080 253 L CA 0.873 55.570 54.840 -0.239 0.000 0.768 253 L CB -0.376 41.225 42.059 -0.763 0.000 0.924 253 L HN 0.381 nan 8.230 nan 0.000 0.444 254 A N -0.134 122.735 122.820 0.082 0.000 1.930 254 A HA -0.195 4.127 4.320 0.003 0.000 0.217 254 A C 2.426 180.087 177.584 0.128 0.000 1.175 254 A CA 1.837 54.016 52.037 0.236 0.000 0.627 254 A CB -0.620 18.545 19.000 0.276 0.000 0.815 254 A HN 0.476 nan 8.150 nan 0.000 0.443 255 S N -1.560 114.192 115.700 0.087 0.000 2.561 255 S HA 0.040 4.512 4.470 0.003 0.000 0.225 255 S C 0.861 175.511 174.600 0.083 0.000 0.977 255 S CA 0.945 59.190 58.200 0.075 0.000 0.926 255 S CB -0.332 62.904 63.200 0.059 0.000 0.769 255 S HN 0.526 nan 8.310 nan 0.000 0.533 256 K N -0.892 119.554 120.400 0.077 0.000 3.407 256 K HA -0.295 4.027 4.320 0.003 0.000 0.312 256 K C 0.705 177.345 176.600 0.067 0.000 1.302 256 K CA 1.037 57.360 56.287 0.061 0.000 0.931 256 K CB -2.072 30.465 32.500 0.061 0.000 1.257 256 K HN 0.668 nan 8.250 nan 0.000 0.454 257 H N 0.541 119.607 119.070 -0.007 0.000 2.352 257 H HA 0.025 4.583 4.556 0.003 0.000 0.299 257 H C 0.581 175.897 175.328 -0.020 0.000 1.097 257 H CA 1.928 57.968 56.048 -0.013 0.000 1.311 257 H CB 0.237 29.987 29.762 -0.020 0.000 1.377 257 H HN 0.190 nan 8.280 nan 0.000 0.504 258 L N -0.619 120.550 121.223 -0.091 0.000 2.344 258 L HA 0.437 4.779 4.340 0.003 0.000 0.272 258 L C 1.075 177.900 176.870 -0.075 0.000 1.035 258 L CA -0.183 54.575 54.840 -0.137 0.000 0.807 258 L CB 1.753 43.752 42.059 -0.099 0.000 1.237 258 L HN 0.144 nan 8.230 nan 0.000 0.442 259 A N 1.149 123.933 122.820 -0.061 0.000 2.303 259 A HA 0.605 4.927 4.320 0.003 0.000 0.217 259 A C 0.678 178.257 177.584 -0.010 0.000 1.205 259 A CA 0.536 52.565 52.037 -0.015 0.000 0.875 259 A CB 0.175 19.184 19.000 0.015 0.000 0.910 259 A HN 0.895 nan 8.150 nan 0.000 0.501 260 G N -2.663 106.115 108.800 -0.036 0.000 2.316 260 G HA2 0.642 4.603 3.960 0.003 0.000 0.296 260 G HA3 0.642 4.603 3.960 0.003 0.000 0.296 260 G C -1.135 173.737 174.900 -0.046 0.000 1.399 260 G CA 0.139 45.221 45.100 -0.031 0.000 0.833 260 G HN 1.298 nan 8.290 nan 0.000 0.565 261 A N -1.319 121.481 122.820 -0.034 0.000 2.602 261 A HA 1.078 5.400 4.320 0.003 0.000 0.290 261 A C -0.729 176.852 177.584 -0.005 0.000 1.114 261 A CA 0.140 52.158 52.037 -0.032 0.000 0.683 261 A CB 1.359 20.325 19.000 -0.058 0.000 1.281 261 A HN 2.568 nan 8.150 nan 0.000 0.416 262 A N 1.072 123.883 122.820 -0.014 0.000 2.499 262 A HA 0.626 4.948 4.320 0.003 0.000 0.280 262 A C -1.211 176.346 177.584 -0.045 0.000 1.135 262 A CA -0.253 51.781 52.037 -0.004 0.000 0.744 262 A CB 0.386 19.387 19.000 0.001 0.000 1.213 262 A HN 0.678 nan 8.150 nan 0.000 0.434 263 I N 2.306 122.848 120.570 -0.046 0.000 2.378 263 I HA 0.321 4.493 4.170 0.003 0.000 0.291 263 I C 0.356 176.325 176.117 -0.246 0.000 0.992 263 I CA -0.277 60.900 61.300 -0.205 0.000 1.154 263 I CB 1.532 39.376 38.000 -0.261 0.000 1.315 263 I HN 0.817 nan 8.210 nan 0.000 0.448 264 D N 4.567 124.774 120.400 -0.322 0.000 2.407 264 D HA 0.150 4.792 4.640 0.003 0.000 0.208 264 D C -0.146 175.922 176.300 -0.387 0.000 1.083 264 D CA 0.448 54.310 54.000 -0.229 0.000 0.844 264 D CB 0.794 41.514 40.800 -0.134 0.000 0.967 264 D HN 0.317 nan 8.370 nan 0.000 0.506 265 V N -1.889 117.573 119.914 -0.754 0.000 2.932 265 V HA 0.690 4.811 4.120 0.003 0.000 0.307 265 V C -1.081 174.549 176.094 -0.774 0.000 1.147 265 V CA -1.030 60.911 62.300 -0.598 0.000 0.951 265 V CB 1.294 32.819 31.823 -0.497 0.000 1.031 265 V HN -0.120 nan 8.190 nan 0.000 0.426 266 F N 2.360 122.330 119.950 0.034 0.000 2.613 266 F HA 0.753 5.282 4.527 0.004 0.000 0.314 266 F C -1.711 174.140 175.800 0.085 0.000 1.075 266 F CA -2.065 55.992 58.000 0.095 0.000 0.945 266 F CB 2.106 41.228 39.000 0.204 0.000 1.310 266 F HN 0.330 nan 8.300 nan 0.000 0.467 267 P HA -0.056 nan 4.420 nan 0.000 0.217 267 P C -0.022 177.376 177.300 0.164 0.000 1.150 267 P CA 1.383 64.580 63.100 0.161 0.000 0.832 267 P CB 0.143 31.917 31.700 0.124 0.000 0.787 268 T N 1.173 115.842 114.554 0.191 0.000 2.809 268 T HA 0.373 4.725 4.350 0.003 0.000 0.284 268 T C -0.470 174.353 174.700 0.204 0.000 0.992 268 T CA -0.501 61.691 62.100 0.154 0.000 0.957 268 T CB 1.831 70.752 68.868 0.088 0.000 0.942 268 T HN -0.041 nan 8.240 nan 0.000 0.439 269 E N 2.636 122.960 120.200 0.206 0.000 2.227 269 E HA 0.458 4.810 4.350 0.003 0.000 0.268 269 E C -2.400 174.294 176.600 0.155 0.000 0.907 269 E CA -2.302 54.236 56.400 0.230 0.000 0.786 269 E CB 1.150 31.016 29.700 0.277 0.000 1.191 269 E HN 0.332 nan 8.360 nan 0.000 0.411 270 P HA -0.068 nan 4.420 nan 0.000 0.264 270 P C -0.104 177.242 177.300 0.076 0.000 1.183 270 P CA 0.250 63.409 63.100 0.099 0.000 0.763 270 P CB 0.663 32.420 31.700 0.095 0.000 0.807 271 A N 2.498 125.354 122.820 0.061 0.000 1.969 271 A HA 0.058 4.380 4.320 0.003 0.000 0.218 271 A C 1.070 178.677 177.584 0.037 0.000 1.169 271 A CA 1.925 53.993 52.037 0.052 0.000 0.635 271 A CB -0.620 18.410 19.000 0.051 0.000 0.810 271 A HN 0.665 nan 8.150 nan 0.000 0.445 272 T N -5.645 108.929 114.554 0.033 0.000 2.816 272 T HA 0.315 4.667 4.350 0.003 0.000 0.299 272 T C 0.137 174.849 174.700 0.021 0.000 1.230 272 T CA -0.157 61.955 62.100 0.021 0.000 1.007 272 T CB 0.647 69.525 68.868 0.017 0.000 1.289 272 T HN 0.177 nan 8.240 nan 0.000 0.508 273 N N -0.082 118.626 118.700 0.012 0.000 2.512 273 N HA -0.014 4.728 4.740 0.003 0.000 0.183 273 N C 1.339 176.859 175.510 0.016 0.000 1.073 273 N CA 0.497 53.554 53.050 0.011 0.000 0.911 273 N CB 0.012 38.502 38.487 0.004 0.000 0.964 273 N HN 0.511 nan 8.380 nan 0.000 0.447 274 S N 0.062 115.772 115.700 0.017 0.000 2.496 274 S HA 0.021 4.493 4.470 0.003 0.000 0.224 274 S C 0.065 174.678 174.600 0.023 0.000 0.996 274 S CA 0.395 58.605 58.200 0.017 0.000 0.927 274 S CB 0.202 63.410 63.200 0.013 0.000 0.774 274 S HN 0.256 nan 8.310 nan 0.000 0.524 275 D N 2.955 123.372 120.400 0.029 0.000 2.256 275 D HA 0.335 4.977 4.640 0.003 0.000 0.250 275 D C -2.546 173.785 176.300 0.050 0.000 1.093 275 D CA -1.581 52.440 54.000 0.035 0.000 0.882 275 D CB 0.598 41.421 40.800 0.038 0.000 1.185 275 D HN 0.071 nan 8.370 nan 0.000 0.437 276 P HA 0.119 nan 4.420 nan 0.000 0.269 276 P C -0.638 176.716 177.300 0.091 0.000 1.215 276 P CA -0.302 62.830 63.100 0.054 0.000 0.780 276 P CB 0.396 32.104 31.700 0.013 0.000 0.898 277 F N 1.497 121.409 119.950 -0.064 0.000 2.480 277 F HA 0.664 5.193 4.527 0.003 0.000 0.329 277 F C -0.423 175.310 175.800 -0.111 0.000 1.091 277 F CA -0.166 57.767 58.000 -0.111 0.000 0.972 277 F CB 1.768 40.681 39.000 -0.145 0.000 1.150 277 F HN 0.191 nan 8.300 nan 0.000 0.467 278 T N 3.969 117.910 114.554 -1.022 0.000 3.041 278 T HA 0.574 4.926 4.350 0.003 0.000 0.321 278 T C -1.790 172.312 174.700 -0.997 0.000 1.184 278 T CA -0.432 61.149 62.100 -0.865 0.000 1.050 278 T CB 1.130 69.774 68.868 -0.374 0.000 1.159 278 T HN 0.843 nan 8.240 nan 0.000 0.469 279 S N 3.442 118.697 115.700 -0.742 0.000 2.536 279 S HA 0.646 5.118 4.470 0.003 0.000 0.271 279 S C -2.085 172.440 174.600 -0.125 0.000 1.134 279 S CA -1.316 56.669 58.200 -0.359 0.000 0.897 279 S CB 2.011 65.067 63.200 -0.239 0.000 1.094 279 S HN 0.602 nan 8.310 nan 0.000 0.473 280 P HA 0.030 nan 4.420 nan 0.000 0.230 280 P C 1.266 178.676 177.300 0.183 0.000 1.158 280 P CA 0.586 63.719 63.100 0.055 0.000 0.769 280 P CB 0.007 31.758 31.700 0.084 0.000 0.807 281 L N -0.952 120.415 121.223 0.240 0.000 2.362 281 L HA -0.089 4.252 4.340 0.003 0.000 0.219 281 L C 2.475 179.554 176.870 0.349 0.000 1.134 281 L CA 0.732 55.815 54.840 0.406 0.000 0.807 281 L CB -0.885 41.381 42.059 0.345 0.000 0.927 281 L HN 0.036 nan 8.230 nan 0.000 0.447 282 C N -0.209 119.183 119.300 0.153 0.000 2.419 282 C HA -0.156 4.306 4.460 0.003 0.000 0.283 282 C C 2.652 177.658 174.990 0.027 0.000 1.373 282 C CA 0.763 59.841 59.018 0.099 0.000 1.781 282 C CB -0.799 26.944 27.740 0.004 0.000 1.886 282 C HN 0.558 nan 8.230 nan 0.000 0.520 283 E N -0.083 120.062 120.200 -0.090 0.000 2.204 283 E HA -0.133 4.219 4.350 0.003 0.000 0.195 283 E C -0.365 176.010 176.600 -0.376 0.000 0.990 283 E CA 0.740 56.948 56.400 -0.320 0.000 0.821 283 E CB 0.030 29.385 29.700 -0.575 0.000 0.750 283 E HN 0.629 nan 8.360 nan 0.000 0.477 284 F N 1.496 121.470 119.950 0.041 0.000 2.404 284 F HA 0.144 4.673 4.527 0.003 0.000 0.358 284 F C 0.958 176.784 175.800 0.044 0.000 1.120 284 F CA -0.735 57.290 58.000 0.042 0.000 1.144 284 F CB 1.168 40.197 39.000 0.048 0.000 1.133 284 F HN -0.147 nan 8.300 nan 0.000 0.495 285 D N 1.459 121.962 120.400 0.172 0.000 2.219 285 D HA -0.167 4.475 4.640 0.003 0.000 0.205 285 D C 1.424 177.796 176.300 0.119 0.000 0.970 285 D CA 1.181 55.252 54.000 0.118 0.000 0.851 285 D CB -0.210 40.635 40.800 0.075 0.000 0.943 285 D HN 0.681 nan 8.370 nan 0.000 0.488 286 N N -0.010 118.777 118.700 0.146 0.000 2.421 286 N HA 0.029 4.770 4.740 0.003 0.000 0.201 286 N C -0.499 175.062 175.510 0.084 0.000 1.198 286 N CA -0.063 53.047 53.050 0.100 0.000 0.838 286 N CB 0.462 39.000 38.487 0.086 0.000 1.011 286 N HN -0.181 nan 8.380 nan 0.000 0.463 287 V N 1.450 121.437 119.914 0.122 0.000 2.448 287 V HA 0.275 4.397 4.120 0.003 0.000 0.295 287 V C -0.057 176.103 176.094 0.110 0.000 1.025 287 V CA -0.840 61.523 62.300 0.104 0.000 0.859 287 V CB 1.809 33.716 31.823 0.141 0.000 0.988 287 V HN 0.240 nan 8.190 nan 0.000 0.431 288 L N 6.138 127.409 121.223 0.081 0.000 2.315 288 L HA 0.438 4.780 4.340 0.003 0.000 0.283 288 L C -0.543 176.393 176.870 0.110 0.000 1.089 288 L CA -0.015 54.871 54.840 0.077 0.000 0.833 288 L CB 0.586 42.674 42.059 0.049 0.000 1.170 288 L HN 0.441 nan 8.230 nan 0.000 0.442 289 L N 4.137 125.442 121.223 0.137 0.000 2.305 289 L HA 0.532 4.874 4.340 0.003 0.000 0.284 289 L C 0.075 177.004 176.870 0.097 0.000 1.013 289 L CA -0.434 54.529 54.840 0.206 0.000 0.819 289 L CB 1.761 43.975 42.059 0.259 0.000 1.227 289 L HN 0.584 nan 8.230 nan 0.000 0.417 290 T N -0.489 114.131 114.554 0.109 0.000 2.887 290 T HA 0.490 4.842 4.350 0.003 0.000 0.288 290 T C -2.599 172.131 174.700 0.050 0.000 1.021 290 T CA -2.204 59.919 62.100 0.037 0.000 1.000 290 T CB 2.069 70.957 68.868 0.034 0.000 1.034 290 T HN 0.315 nan 8.240 nan 0.000 0.467 291 P HA 0.158 nan 4.420 nan 0.000 0.225 291 P C 0.057 177.443 177.300 0.142 0.000 1.768 291 P CA 0.152 63.247 63.100 -0.008 0.000 0.943 291 P CB -1.293 30.358 31.700 -0.081 0.000 1.936 292 H N 1.383 120.486 119.070 0.055 0.000 2.756 292 H HA -0.165 4.393 4.556 0.003 0.000 0.315 292 H C 0.140 175.483 175.328 0.025 0.000 1.210 292 H CA -0.182 55.893 56.048 0.045 0.000 1.150 292 H CB -1.023 28.778 29.762 0.065 0.000 1.463 292 H HN 0.273 nan 8.280 nan 0.000 0.427 293 I N -2.954 117.715 120.570 0.164 0.000 3.927 293 I HA 0.378 4.550 4.170 0.003 0.000 0.332 293 I C 2.014 178.186 176.117 0.091 0.000 1.485 293 I CA 0.429 61.792 61.300 0.106 0.000 1.131 293 I CB 0.205 38.241 38.000 0.060 0.000 1.092 293 I HN 0.251 nan 8.210 nan 0.000 0.410 294 G N 1.577 110.440 108.800 0.105 0.000 2.469 294 G HA2 -0.170 3.792 3.960 0.003 0.000 0.220 294 G HA3 -0.170 3.792 3.960 0.003 0.000 0.220 294 G C 1.364 176.308 174.900 0.073 0.000 1.136 294 G CA 0.838 45.984 45.100 0.076 0.000 0.759 294 G HN 0.609 nan 8.290 nan 0.000 0.562 295 G N -0.751 108.102 108.800 0.089 0.000 3.502 295 G HA2 0.358 4.320 3.960 0.003 0.000 0.267 295 G HA3 0.358 4.320 3.960 0.003 0.000 0.267 295 G C 0.323 175.253 174.900 0.050 0.000 1.090 295 G CA 0.099 45.236 45.100 0.062 0.000 0.795 295 G HN 0.238 nan 8.290 nan 0.000 0.535 296 S N 1.526 117.258 115.700 0.053 0.000 3.489 296 S HA 0.446 4.918 4.470 0.003 0.000 0.227 296 S C 0.250 174.875 174.600 0.041 0.000 1.360 296 S CA -0.407 57.820 58.200 0.045 0.000 0.934 296 S CB 0.252 63.478 63.200 0.044 0.000 1.410 296 S HN 0.546 nan 8.310 nan 0.000 0.483 297 T N -0.620 113.957 114.554 0.040 0.000 2.906 297 T HA 0.396 4.748 4.350 0.003 0.000 0.295 297 T C 0.771 175.501 174.700 0.050 0.000 1.075 297 T CA -0.836 61.288 62.100 0.039 0.000 1.005 297 T CB 1.298 70.183 68.868 0.028 0.000 1.136 297 T HN 0.022 nan 8.240 nan 0.000 0.498 298 Q N 0.499 120.336 119.800 0.062 0.000 2.226 298 Q HA -0.076 4.266 4.340 0.003 0.000 0.204 298 Q C 1.683 177.709 176.000 0.045 0.000 0.975 298 Q CA 1.624 57.489 55.803 0.102 0.000 0.866 298 Q CB -0.248 28.561 28.738 0.118 0.000 0.915 298 Q HN 0.790 nan 8.270 nan 0.000 0.440 299 E N 0.542 120.747 120.200 0.008 0.000 2.072 299 E HA -0.045 4.307 4.350 0.003 0.000 0.190 299 E C 1.880 178.446 176.600 -0.057 0.000 0.982 299 E CA 1.103 57.479 56.400 -0.039 0.000 0.803 299 E CB -0.365 29.323 29.700 -0.021 0.000 0.755 299 E HN 0.337 nan 8.360 nan 0.000 0.453 300 A N 1.115 123.923 122.820 -0.019 0.000 1.865 300 A HA -0.272 4.050 4.320 0.003 0.000 0.217 300 A C 2.079 179.654 177.584 -0.014 0.000 1.191 300 A CA 1.557 53.586 52.037 -0.012 0.000 0.623 300 A CB -0.581 18.426 19.000 0.011 0.000 0.826 300 A HN 0.121 nan 8.150 nan 0.000 0.444 301 Q N -0.588 119.222 119.800 0.017 0.000 2.152 301 Q HA -0.250 4.092 4.340 0.003 0.000 0.206 301 Q C 1.977 177.952 176.000 -0.041 0.000 0.985 301 Q CA 1.953 57.794 55.803 0.064 0.000 0.863 301 Q CB -0.430 28.415 28.738 0.179 0.000 0.904 301 Q HN 0.895 nan 8.270 nan 0.000 0.422 302 E N 0.439 120.448 120.200 -0.317 0.000 2.072 302 E HA -0.146 4.206 4.350 0.003 0.000 0.191 302 E C 1.599 178.056 176.600 -0.238 0.000 0.985 302 E CA 0.850 56.861 56.400 -0.648 0.000 0.801 302 E CB 0.053 29.303 29.700 -0.750 0.000 0.750 302 E HN 0.472 nan 8.360 nan 0.000 0.452 303 N N 0.218 118.835 118.700 -0.138 0.000 2.084 303 N HA -0.144 4.597 4.740 0.003 0.000 0.190 303 N C 2.093 177.572 175.510 -0.051 0.000 1.030 303 N CA 1.064 54.068 53.050 -0.078 0.000 0.849 303 N CB -0.096 38.359 38.487 -0.052 0.000 1.012 303 N HN 0.151 nan 8.380 nan 0.000 0.423 304 I N 1.173 121.726 120.570 -0.027 0.000 2.163 304 I HA -0.214 3.958 4.170 0.003 0.000 0.243 304 I C 2.631 178.775 176.117 0.044 0.000 1.085 304 I CA 1.246 62.540 61.300 -0.011 0.000 1.347 304 I CB -0.694 37.334 38.000 0.047 0.000 1.044 304 I HN 0.221 nan 8.210 nan 0.000 0.408 305 G N 0.920 109.822 108.800 0.171 0.000 2.469 305 G HA2 -0.226 3.736 3.960 0.003 0.000 0.219 305 G HA3 -0.226 3.736 3.960 0.003 0.000 0.219 305 G C 1.676 176.679 174.900 0.172 0.000 1.150 305 G CA 0.775 46.067 45.100 0.321 0.000 0.763 305 G HN 0.298 nan 8.290 nan 0.000 0.561 306 L N -0.164 121.080 121.223 0.035 0.000 2.072 306 L HA 0.049 4.391 4.340 0.003 0.000 0.205 306 L C 2.717 179.553 176.870 -0.057 0.000 1.079 306 L CA 1.363 56.196 54.840 -0.012 0.000 0.752 306 L CB -0.448 41.590 42.059 -0.036 0.000 0.906 306 L HN 0.353 nan 8.230 nan 0.000 0.436 307 E N 0.436 120.584 120.200 -0.086 0.000 2.031 307 E HA -0.193 4.159 4.350 0.003 0.000 0.193 307 E C 2.144 178.614 176.600 -0.216 0.000 0.994 307 E CA 1.819 58.141 56.400 -0.131 0.000 0.800 307 E CB 0.111 29.736 29.700 -0.125 0.000 0.752 307 E HN 0.219 nan 8.360 nan 0.000 0.447 308 V N 1.188 120.898 119.914 -0.341 0.000 2.379 308 V HA -0.158 3.963 4.120 0.003 0.000 0.245 308 V C 2.488 178.351 176.094 -0.384 0.000 1.044 308 V CA 1.516 63.475 62.300 -0.567 0.000 1.036 308 V CB -0.813 30.259 31.823 -1.252 0.000 0.664 308 V HN 0.455 nan 8.190 nan 0.000 0.453 309 A N 1.038 123.784 122.820 -0.124 0.000 1.917 309 A HA -0.161 4.161 4.320 0.003 0.000 0.219 309 A C 2.408 179.907 177.584 -0.141 0.000 1.182 309 A CA 2.194 54.237 52.037 0.010 0.000 0.633 309 A CB -1.279 17.764 19.000 0.071 0.000 0.819 309 A HN 0.538 nan 8.150 nan 0.000 0.448 310 G N -0.768 107.943 108.800 -0.148 0.000 2.422 310 G HA2 -0.186 3.776 3.960 0.003 0.000 0.218 310 G HA3 -0.186 3.776 3.960 0.003 0.000 0.218 310 G C 1.672 176.442 174.900 -0.217 0.000 1.140 310 G CA 1.049 46.059 45.100 -0.150 0.000 0.775 310 G HN 0.581 nan 8.290 nan 0.000 0.545 311 K N -0.170 120.036 120.400 -0.324 0.000 2.025 311 K HA 0.103 4.425 4.320 0.003 0.000 0.207 311 K C 2.485 178.716 176.600 -0.614 0.000 1.049 311 K CA 0.667 56.610 56.287 -0.573 0.000 0.933 311 K CB -0.279 31.732 32.500 -0.814 0.000 0.714 311 K HN 0.241 nan 8.250 nan 0.000 0.438 312 L N 0.756 121.728 121.223 -0.419 0.000 2.012 312 L HA -0.223 4.119 4.340 0.003 0.000 0.210 312 L C 2.364 179.083 176.870 -0.251 0.000 1.073 312 L CA 1.313 56.009 54.840 -0.240 0.000 0.748 312 L CB -0.484 41.497 42.059 -0.130 0.000 0.891 312 L HN 0.186 nan 8.230 nan 0.000 0.431 313 I N -0.307 120.102 120.570 -0.268 0.000 2.286 313 I HA -0.300 3.872 4.170 0.003 0.000 0.248 313 I C 2.509 178.596 176.117 -0.052 0.000 1.115 313 I CA 1.431 62.605 61.300 -0.210 0.000 1.392 313 I CB -0.235 37.686 38.000 -0.131 0.000 1.065 313 I HN 0.193 nan 8.210 nan 0.000 0.418 314 K N -0.455 119.913 120.400 -0.054 0.000 2.155 314 K HA -0.190 4.132 4.320 0.003 0.000 0.203 314 K C 2.155 178.816 176.600 0.102 0.000 1.052 314 K CA 1.186 57.484 56.287 0.017 0.000 0.948 314 K CB -0.240 32.248 32.500 -0.021 0.000 0.728 314 K HN 0.224 nan 8.250 nan 0.000 0.448 315 Y N 1.482 121.769 120.300 -0.021 0.000 2.133 315 Y HA -0.222 4.329 4.550 0.002 0.000 0.287 315 Y C 2.632 178.639 175.900 0.178 0.000 1.134 315 Y CA 1.426 59.593 58.100 0.110 0.000 1.133 315 Y CB -0.622 37.952 38.460 0.190 0.000 0.987 315 Y HN -0.072 nan 8.280 nan 0.000 0.502 316 S N -0.232 115.529 115.700 0.102 0.000 2.359 316 S HA -0.196 4.276 4.470 0.003 0.000 0.224 316 S C 1.735 176.411 174.600 0.126 0.000 1.035 316 S CA 1.896 60.169 58.200 0.121 0.000 1.018 316 S CB -0.483 62.779 63.200 0.104 0.000 0.876 316 S HN 0.604 nan 8.310 nan 0.000 0.448 317 D N 0.708 121.203 120.400 0.158 0.000 2.162 317 D HA 0.003 4.645 4.640 0.003 0.000 0.203 317 D C 1.301 177.730 176.300 0.215 0.000 0.967 317 D CA 1.226 55.346 54.000 0.199 0.000 0.840 317 D CB -0.267 40.642 40.800 0.180 0.000 0.972 317 D HN 0.764 nan 8.370 nan 0.000 0.482 318 N N -2.267 116.533 118.700 0.166 0.000 2.082 318 N HA 0.187 4.929 4.740 0.003 0.000 0.228 318 N C 1.120 176.709 175.510 0.131 0.000 1.341 318 N CA 0.577 53.751 53.050 0.207 0.000 0.873 318 N CB 1.018 39.646 38.487 0.236 0.000 1.137 318 N HN 0.015 nan 8.380 nan 0.000 0.505 319 G N -0.139 108.713 108.800 0.087 0.000 2.179 319 G HA2 -0.319 3.643 3.960 0.003 0.000 0.260 319 G HA3 -0.319 3.643 3.960 0.003 0.000 0.260 319 G C 0.038 175.188 174.900 0.417 0.000 0.977 319 G CA 0.276 45.466 45.100 0.150 0.000 0.641 319 G HN 0.664 nan 8.290 nan 0.000 0.533 320 S N 0.656 116.553 115.700 0.329 0.000 2.533 320 S HA 0.476 4.948 4.470 0.003 0.000 0.282 320 S C 1.430 176.304 174.600 0.457 0.000 1.304 320 S CA 1.279 59.669 58.200 0.316 0.000 1.063 320 S CB 0.607 63.916 63.200 0.181 0.000 0.881 320 S HN 1.181 nan 8.310 nan 0.000 0.493 321 T N 3.625 118.418 114.554 0.400 0.000 3.228 321 T HA 0.333 4.685 4.350 0.003 0.000 0.278 321 T C 0.395 175.277 174.700 0.303 0.000 1.014 321 T CA -0.502 61.813 62.100 0.358 0.000 0.904 321 T CB -0.441 68.549 68.868 0.205 0.000 1.110 321 T HN 0.511 nan 8.240 nan 0.000 0.541 322 L N 2.620 123.998 121.223 0.258 0.000 2.490 322 L HA 0.211 4.553 4.340 0.003 0.000 0.274 322 L C 1.414 178.432 176.870 0.247 0.000 1.201 322 L CA 0.734 55.690 54.840 0.194 0.000 0.869 322 L CB 0.485 42.627 42.059 0.140 0.000 1.123 322 L HN 0.731 nan 8.230 nan 0.000 0.484 323 S N 0.741 116.546 115.700 0.174 0.000 2.929 323 S HA -0.210 4.262 4.470 0.003 0.000 0.271 323 S C 0.374 175.054 174.600 0.133 0.000 1.295 323 S CA 0.386 58.679 58.200 0.156 0.000 1.277 323 S CB -1.642 61.654 63.200 0.161 0.000 1.557 323 S HN 1.128 nan 8.310 nan 0.000 0.666 324 A N 0.433 123.276 122.820 0.039 0.000 2.498 324 A HA 0.644 4.966 4.320 0.003 0.000 0.239 324 A C 1.219 178.696 177.584 -0.178 0.000 1.068 324 A CA 0.434 52.248 52.037 -0.373 0.000 0.766 324 A CB 0.863 19.522 19.000 -0.568 0.000 1.003 324 A HN 1.224 nan 8.150 nan 0.000 0.497 325 V N 1.853 121.635 119.914 -0.220 0.000 3.471 325 V HA 0.006 4.128 4.120 0.003 0.000 0.258 325 V C 1.169 177.214 176.094 -0.082 0.000 1.192 325 V CA 1.621 63.852 62.300 -0.115 0.000 1.116 325 V CB -0.368 31.385 31.823 -0.117 0.000 0.792 325 V HN 1.047 nan 8.190 nan 0.000 0.459 326 N N -1.525 117.123 118.700 -0.087 0.000 2.299 326 N HA 0.167 4.909 4.740 0.003 0.000 0.246 326 N C -0.750 174.786 175.510 0.043 0.000 1.254 326 N CA -0.198 52.832 53.050 -0.033 0.000 0.879 326 N CB 0.656 39.115 38.487 -0.046 0.000 1.214 326 N HN 0.303 nan 8.380 nan 0.000 0.510 327 F N 0.695 120.533 119.950 -0.186 0.000 2.641 327 F HA 0.494 5.022 4.527 0.002 0.000 0.308 327 F C -2.486 173.242 175.800 -0.119 0.000 1.105 327 F CA -1.686 56.199 58.000 -0.192 0.000 0.964 327 F CB 1.975 40.782 39.000 -0.322 0.000 1.294 327 F HN -0.232 nan 8.300 nan 0.000 0.442 328 P HA 0.004 nan 4.420 nan 0.000 0.260 328 P C -1.277 176.120 177.300 0.162 0.000 1.172 328 P CA 0.471 63.535 63.100 -0.059 0.000 0.760 328 P CB 0.268 31.887 31.700 -0.134 0.000 0.773 329 E N 1.797 122.063 120.200 0.110 0.000 2.152 329 E HA 0.341 4.693 4.350 0.003 0.000 0.285 329 E C -0.568 176.016 176.600 -0.028 0.000 1.043 329 E CA -0.583 55.882 56.400 0.109 0.000 0.839 329 E CB 0.874 30.632 29.700 0.097 0.000 1.069 329 E HN 0.144 nan 8.360 nan 0.000 0.399 330 V N 2.518 122.396 119.914 -0.060 0.000 2.709 330 V HA 0.494 4.616 4.120 0.003 0.000 0.308 330 V C -0.568 175.381 176.094 -0.242 0.000 1.062 330 V CA -0.639 61.347 62.300 -0.523 0.000 0.901 330 V CB 2.081 33.638 31.823 -0.444 0.000 1.003 330 V HN 0.782 nan 8.190 nan 0.000 0.425 331 S N 4.800 120.314 115.700 -0.310 0.000 2.543 331 S HA 0.794 5.266 4.470 0.003 0.000 0.273 331 S C -1.554 173.114 174.600 0.113 0.000 1.152 331 S CA -0.724 57.471 58.200 -0.008 0.000 0.910 331 S CB 1.526 64.772 63.200 0.075 0.000 1.105 331 S HN 0.547 nan 8.310 nan 0.000 0.465 332 L N 2.653 123.937 121.223 0.101 0.000 2.362 332 L HA 0.656 4.998 4.340 0.003 0.000 0.271 332 L C -2.212 174.663 176.870 0.008 0.000 1.002 332 L CA -2.361 52.542 54.840 0.105 0.000 0.818 332 L CB 2.402 44.514 42.059 0.088 0.000 1.298 332 L HN 0.582 nan 8.230 nan 0.000 0.420 333 P HA 0.127 nan 4.420 nan 0.000 0.272 333 P C -0.998 176.095 177.300 -0.346 0.000 1.230 333 P CA -0.247 62.716 63.100 -0.228 0.000 0.788 333 P CB 0.587 32.079 31.700 -0.347 0.000 0.949 334 L N 3.357 124.456 121.223 -0.207 0.000 2.295 334 L HA 0.185 4.527 4.340 0.003 0.000 0.288 334 L C 0.705 177.558 176.870 -0.029 0.000 1.079 334 L CA -0.194 54.603 54.840 -0.072 0.000 0.830 334 L CB -0.176 41.859 42.059 -0.040 0.000 1.200 334 L HN 0.428 nan 8.230 nan 0.000 0.438 335 H N 2.819 121.937 119.070 0.080 0.000 2.505 335 H HA 0.318 4.875 4.556 0.001 0.000 0.260 335 H C 0.993 176.355 175.328 0.057 0.000 1.168 335 H CA 0.033 56.112 56.048 0.051 0.000 0.945 335 H CB 0.575 30.366 29.762 0.050 0.000 1.800 335 H HN 0.854 nan 8.280 nan 0.000 0.586 336 G N 0.308 109.196 108.800 0.148 0.000 2.641 336 G HA2 -0.012 3.950 3.960 0.003 0.000 0.254 336 G HA3 -0.012 3.950 3.960 0.003 0.000 0.254 336 G C 0.667 175.688 174.900 0.201 0.000 1.315 336 G CA 0.259 45.427 45.100 0.113 0.000 0.907 336 G HN 1.083 nan 8.290 nan 0.000 0.572 337 G N -1.228 107.663 108.800 0.151 0.000 2.569 337 G HA2 0.189 4.150 3.960 0.003 0.000 0.259 337 G HA3 0.189 4.150 3.960 0.003 0.000 0.259 337 G C -0.030 175.001 174.900 0.218 0.000 1.263 337 G CA 1.082 46.268 45.100 0.143 0.000 0.928 337 G HN 1.678 nan 8.290 nan 0.000 0.572 338 R N 0.121 120.688 120.500 0.111 0.000 2.778 338 R HA 0.807 5.149 4.340 0.003 0.000 0.277 338 R C 0.252 176.468 176.300 -0.141 0.000 0.977 338 R CA -0.950 55.169 56.100 0.031 0.000 0.950 338 R CB 1.496 31.803 30.300 0.012 0.000 1.165 338 R HN 0.910 nan 8.270 nan 0.000 0.474 339 R N 1.651 121.915 120.500 -0.393 0.000 2.532 339 R HA 0.526 4.868 4.340 0.003 0.000 0.297 339 R C -1.068 175.067 176.300 -0.275 0.000 0.984 339 R CA -0.429 55.393 56.100 -0.462 0.000 0.884 339 R CB 1.031 30.744 30.300 -0.978 0.000 1.182 339 R HN 0.538 nan 8.270 nan 0.000 0.442 343 I N 5.438 126.159 120.570 0.251 0.000 2.377 343 I HA 0.375 4.547 4.170 0.003 0.000 0.293 343 I C -0.473 175.716 176.117 0.119 0.000 0.987 343 I CA -0.483 60.938 61.300 0.203 0.000 1.185 343 I CB 1.137 39.252 38.000 0.192 0.000 1.341 343 I HN 0.699 nan 8.210 nan 0.000 0.455 344 H N 2.318 121.500 119.070 0.187 0.000 3.037 344 H HA 0.500 5.058 4.556 0.003 0.000 0.355 344 H C -1.389 173.984 175.328 0.075 0.000 1.263 344 H CA -1.156 54.979 56.048 0.144 0.000 1.129 344 H CB 0.625 30.543 29.762 0.260 0.000 1.861 344 H HN 0.410 nan 8.280 nan 0.000 0.546 345 E N 0.393 120.721 120.200 0.214 0.000 2.404 345 E HA 0.086 4.437 4.350 0.003 0.000 0.261 345 E C -0.475 176.269 176.600 0.240 0.000 1.074 345 E CA -0.276 56.211 56.400 0.145 0.000 0.917 345 E CB 0.478 30.231 29.700 0.088 0.000 0.965 345 E HN 0.561 nan 8.360 nan 0.000 0.433 346 N N 2.331 121.125 118.700 0.156 0.000 3.124 346 N HA 0.054 4.795 4.740 0.003 0.000 0.284 346 N C -0.715 174.839 175.510 0.072 0.000 1.209 346 N CA -0.186 52.954 53.050 0.150 0.000 1.149 346 N CB 0.399 38.947 38.487 0.102 0.000 1.434 346 N HN 0.072 nan 8.380 nan 0.000 0.529 347 R N 1.209 121.741 120.500 0.054 0.000 2.500 347 R HA 0.303 4.645 4.340 0.003 0.000 0.275 347 R C -2.290 174.004 176.300 -0.009 0.000 1.051 347 R CA -1.609 54.502 56.100 0.017 0.000 1.088 347 R CB 0.196 30.504 30.300 0.013 0.000 1.063 347 R HN 0.152 nan 8.270 nan 0.000 0.511 348 P HA 0.030 nan 4.420 nan 0.000 0.268 348 P C 0.512 177.790 177.300 -0.037 0.000 1.204 348 P CA 0.483 63.572 63.100 -0.018 0.000 0.768 348 P CB 0.563 32.257 31.700 -0.011 0.000 0.842 349 G N 1.088 109.860 108.800 -0.047 0.000 2.179 349 G HA2 -0.298 3.664 3.960 0.003 0.000 0.260 349 G HA3 -0.298 3.664 3.960 0.003 0.000 0.260 349 G C 0.955 175.793 174.900 -0.103 0.000 0.977 349 G CA 0.193 45.256 45.100 -0.061 0.000 0.641 349 G HN 0.398 nan 8.290 nan 0.000 0.533 350 V N 0.657 120.484 119.914 -0.145 0.000 2.255 350 V HA -0.191 3.931 4.120 0.003 0.000 0.247 350 V C 2.893 178.833 176.094 -0.258 0.000 1.051 350 V CA 2.451 64.596 62.300 -0.258 0.000 1.018 350 V CB -0.544 30.994 31.823 -0.475 0.000 0.641 350 V HN 0.492 nan 8.190 nan 0.000 0.445 351 L N 0.290 121.401 121.223 -0.187 0.000 2.017 351 L HA -0.183 4.159 4.340 0.003 0.000 0.208 351 L C 2.835 179.653 176.870 -0.088 0.000 1.073 351 L CA 2.251 57.019 54.840 -0.121 0.000 0.745 351 L CB -0.943 41.084 42.059 -0.053 0.000 0.894 351 L HN 0.615 nan 8.230 nan 0.000 0.432 352 T N -2.792 111.719 114.554 -0.072 0.000 2.881 352 T HA -0.134 4.218 4.350 0.003 0.000 0.270 352 T C 1.818 176.471 174.700 -0.079 0.000 1.068 352 T CA 0.933 63.000 62.100 -0.054 0.000 1.131 352 T CB -0.351 68.492 68.868 -0.041 0.000 0.871 352 T HN 0.341 nan 8.240 nan 0.000 0.479 353 A N 1.660 124.412 122.820 -0.113 0.000 1.898 353 A HA 0.210 4.532 4.320 0.003 0.000 0.216 353 A C 2.411 179.880 177.584 -0.193 0.000 1.181 353 A CA 1.049 53.005 52.037 -0.135 0.000 0.620 353 A CB -0.869 18.048 19.000 -0.139 0.000 0.819 353 A HN 0.512 nan 8.150 nan 0.000 0.442 354 L N -0.022 121.067 121.223 -0.223 0.000 2.013 354 L HA -0.271 4.071 4.340 0.003 0.000 0.212 354 L C 2.462 179.156 176.870 -0.292 0.000 1.073 354 L CA 1.558 56.220 54.840 -0.296 0.000 0.753 354 L CB -0.704 41.255 42.059 -0.165 0.000 0.890 354 L HN 0.434 nan 8.230 nan 0.000 0.432 355 N N 0.216 118.883 118.700 -0.054 0.000 2.069 355 N HA -0.240 4.502 4.740 0.003 0.000 0.191 355 N C 1.811 177.305 175.510 -0.027 0.000 1.031 355 N CA 1.411 54.496 53.050 0.058 0.000 0.852 355 N CB -0.221 38.303 38.487 0.063 0.000 1.018 355 N HN 0.298 nan 8.380 nan 0.000 0.423 356 K N 1.145 121.499 120.400 -0.077 0.000 2.113 356 K HA -0.090 4.232 4.320 0.003 0.000 0.208 356 K C 2.065 178.605 176.600 -0.101 0.000 1.047 356 K CA 0.987 57.234 56.287 -0.067 0.000 0.928 356 K CB -0.177 32.280 32.500 -0.071 0.000 0.716 356 K HN 0.090 nan 8.250 nan 0.000 0.446 357 I N 0.052 120.488 120.570 -0.224 0.000 2.142 357 I HA -0.270 3.901 4.170 0.003 0.000 0.240 357 I C 1.750 177.740 176.117 -0.212 0.000 1.078 357 I CA 1.264 62.385 61.300 -0.298 0.000 1.343 357 I CB -0.243 37.447 38.000 -0.517 0.000 1.046 357 I HN 0.114 nan 8.210 nan 0.000 0.405 358 F N 0.715 120.660 119.950 -0.008 0.000 2.234 358 F HA -0.101 4.428 4.527 0.004 0.000 0.299 358 F C 2.473 178.272 175.800 -0.002 0.000 1.087 358 F CA 0.826 58.823 58.000 -0.004 0.000 1.340 358 F CB -1.341 37.656 39.000 -0.005 0.000 1.031 358 F HN 0.006 nan 8.300 nan 0.000 0.500 359 A N 0.827 123.732 122.820 0.142 0.000 1.841 359 A HA -0.208 4.114 4.320 0.003 0.000 0.214 359 A C 2.199 179.814 177.584 0.052 0.000 1.195 359 A CA 1.711 53.796 52.037 0.080 0.000 0.611 359 A CB -1.016 18.012 19.000 0.047 0.000 0.835 359 A HN 0.499 nan 8.150 nan 0.000 0.443 360 E N -1.107 119.108 120.200 0.025 0.000 2.338 360 E HA -0.220 4.131 4.350 0.003 0.000 0.197 360 E C 1.640 178.255 176.600 0.025 0.000 1.007 360 E CA 1.359 57.768 56.400 0.014 0.000 0.849 360 E CB -0.151 29.545 29.700 -0.006 0.000 0.774 360 E HN 0.542 nan 8.360 nan 0.000 0.506 361 Q N -0.013 119.815 119.800 0.047 0.000 2.384 361 Q HA 0.167 4.509 4.340 0.003 0.000 0.207 361 Q C 1.085 177.133 176.000 0.080 0.000 0.904 361 Q CA 1.039 56.882 55.803 0.066 0.000 0.933 361 Q CB 0.730 29.523 28.738 0.092 0.000 1.077 361 Q HN 0.493 nan 8.270 nan 0.000 0.522 362 G N -0.572 108.279 108.800 0.085 0.000 2.132 362 G HA2 -0.214 3.748 3.960 0.003 0.000 0.234 362 G HA3 -0.214 3.748 3.960 0.003 0.000 0.234 362 G C -0.273 174.666 174.900 0.066 0.000 0.989 362 G CA 0.243 45.382 45.100 0.066 0.000 0.676 362 G HN 0.186 nan 8.290 nan 0.000 0.522 363 V N 0.692 120.667 119.914 0.102 0.000 2.461 363 V HA 0.367 4.488 4.120 0.003 0.000 0.275 363 V C 0.552 176.639 176.094 -0.011 0.000 1.047 363 V CA -0.535 61.797 62.300 0.054 0.000 0.955 363 V CB 1.287 33.174 31.823 0.106 0.000 0.988 363 V HN 0.397 nan 8.190 nan 0.000 0.471 364 N N 4.278 122.950 118.700 -0.045 0.000 2.434 364 N HA 0.464 5.206 4.740 0.003 0.000 0.272 364 N C -0.515 174.917 175.510 -0.130 0.000 1.040 364 N CA -0.399 52.613 53.050 -0.063 0.000 0.956 364 N CB 1.153 39.621 38.487 -0.031 0.000 1.108 364 N HN 0.582 nan 8.380 nan 0.000 0.481 365 I N 1.747 122.226 120.570 -0.152 0.000 2.441 365 I HA 0.144 4.316 4.170 0.003 0.000 0.287 365 I C 1.031 177.093 176.117 -0.091 0.000 1.049 365 I CA -0.114 61.073 61.300 -0.188 0.000 1.381 365 I CB 1.364 39.249 38.000 -0.192 0.000 1.409 365 I HN 0.688 nan 8.210 nan 0.000 0.523 366 A N 5.296 128.074 122.820 -0.071 0.000 2.014 366 A HA 0.668 4.990 4.320 0.003 0.000 0.210 366 A C 0.784 178.375 177.584 0.011 0.000 1.188 366 A CA 0.672 52.701 52.037 -0.014 0.000 0.731 366 A CB 0.252 19.262 19.000 0.015 0.000 0.858 366 A HN 0.767 nan 8.150 nan 0.000 0.464 367 A N -1.194 121.624 122.820 -0.002 0.000 2.608 367 A HA 0.685 5.007 4.320 0.003 0.000 0.292 367 A C -1.092 176.495 177.584 0.004 0.000 1.066 367 A CA -0.281 51.767 52.037 0.019 0.000 0.676 367 A CB 0.982 20.016 19.000 0.057 0.000 1.277 367 A HN 0.360 nan 8.150 nan 0.000 0.413 368 Q N 0.344 120.161 119.800 0.028 0.000 2.327 368 Q HA 0.539 4.881 4.340 0.003 0.000 0.265 368 Q C -2.440 173.625 176.000 0.110 0.000 0.993 368 Q CA -0.432 55.401 55.803 0.050 0.000 0.885 368 Q CB 1.808 30.565 28.738 0.032 0.000 1.379 368 Q HN 0.902 nan 8.270 nan 0.000 0.408 369 Y N 5.029 125.312 120.300 -0.027 0.000 2.349 369 Y HA 0.492 5.044 4.550 0.005 0.000 0.324 369 Y C -1.814 174.064 175.900 -0.037 0.000 1.005 369 Y CA -1.234 56.853 58.100 -0.020 0.000 1.240 369 Y CB 1.221 39.673 38.460 -0.014 0.000 1.117 369 Y HN 0.684 nan 8.280 nan 0.000 0.463 370 L N 5.865 127.291 121.223 0.339 0.000 2.317 370 L HA 0.591 4.933 4.340 0.003 0.000 0.281 370 L C -1.222 175.801 176.870 0.255 0.000 1.024 370 L CA -0.120 54.842 54.840 0.204 0.000 0.810 370 L CB 1.740 43.887 42.059 0.147 0.000 1.240 370 L HN 0.744 nan 8.230 nan 0.000 0.427 371 Q N 2.068 121.956 119.800 0.146 0.000 2.379 371 Q HA 0.747 5.089 4.340 0.003 0.000 0.278 371 Q C -1.384 174.646 176.000 0.051 0.000 1.068 371 Q CA -0.351 55.529 55.803 0.127 0.000 0.816 371 Q CB 2.276 31.092 28.738 0.130 0.000 1.387 371 Q HN 0.844 nan 8.270 nan 0.000 0.413 372 T N -1.123 113.446 114.554 0.026 0.000 2.906 372 T HA 0.856 5.208 4.350 0.003 0.000 0.295 372 T C -0.932 173.736 174.700 -0.052 0.000 1.075 372 T CA -0.789 61.296 62.100 -0.026 0.000 1.005 372 T CB 1.649 70.524 68.868 0.012 0.000 1.136 372 T HN 0.460 nan 8.240 nan 0.000 0.498 373 S N 0.611 116.251 115.700 -0.101 0.000 2.706 373 S HA 0.606 5.078 4.470 0.003 0.000 0.270 373 S C 0.465 175.014 174.600 -0.085 0.000 1.163 373 S CA 0.629 58.775 58.200 -0.091 0.000 1.042 373 S CB -0.023 63.098 63.200 -0.131 0.000 1.079 373 S HN 2.269 nan 8.310 nan 0.000 0.474 374 A N 3.543 126.335 122.820 -0.047 0.000 5.382 374 A HA -0.206 4.116 4.320 0.003 0.000 0.307 374 A C 0.526 178.091 177.584 -0.032 0.000 1.937 374 A CA 1.405 53.421 52.037 -0.036 0.000 0.715 374 A CB -1.928 17.048 19.000 -0.041 0.000 1.293 374 A HN 1.439 nan 8.150 nan 0.000 0.374 378 Y N 1.240 121.347 120.300 -0.322 0.000 2.401 378 Y HA 0.695 5.247 4.550 0.003 0.000 0.330 378 Y C -1.537 174.389 175.900 0.043 0.000 1.071 378 Y CA -1.259 56.775 58.100 -0.110 0.000 1.049 378 Y CB 2.037 40.514 38.460 0.029 0.000 1.239 378 Y HN 0.845 nan 8.280 nan 0.000 0.437 379 V N 7.136 126.933 119.914 -0.194 0.000 2.709 379 V HA 0.816 4.938 4.120 0.003 0.000 0.308 379 V C -1.823 174.100 176.094 -0.285 0.000 1.062 379 V CA -0.593 61.601 62.300 -0.177 0.000 0.901 379 V CB 2.027 33.904 31.823 0.089 0.000 1.003 379 V HN 0.602 nan 8.190 nan 0.000 0.425 380 V N 7.728 127.491 119.914 -0.252 0.000 2.495 380 V HA 0.609 4.731 4.120 0.003 0.000 0.298 380 V C -0.449 175.619 176.094 -0.044 0.000 1.031 380 V CA -0.413 61.785 62.300 -0.170 0.000 0.871 380 V CB 1.694 33.394 31.823 -0.205 0.000 0.988 380 V HN 0.747 nan 8.190 nan 0.000 0.432 381 I N 3.513 124.063 120.570 -0.034 0.000 2.466 381 I HA 0.481 4.653 4.170 0.003 0.000 0.289 381 I C -1.069 174.993 176.117 -0.093 0.000 1.026 381 I CA -0.534 60.740 61.300 -0.044 0.000 1.078 381 I CB 2.164 40.151 38.000 -0.022 0.000 1.249 381 I HN 0.431 nan 8.210 nan 0.000 0.429 382 D N 7.026 127.375 120.400 -0.085 0.000 2.198 382 D HA 0.649 5.291 4.640 0.003 0.000 0.245 382 D C -0.421 175.804 176.300 -0.125 0.000 1.079 382 D CA -0.022 53.931 54.000 -0.078 0.000 0.854 382 D CB 1.834 42.634 40.800 0.001 0.000 1.148 382 D HN 0.484 nan 8.370 nan 0.000 0.456 383 I N -2.287 118.208 120.570 -0.125 0.000 2.934 383 I HA 0.559 4.731 4.170 0.003 0.000 0.306 383 I C -0.906 175.173 176.117 -0.063 0.000 1.110 383 I CA -1.078 60.128 61.300 -0.156 0.000 1.019 383 I CB 2.437 40.286 38.000 -0.251 0.000 1.227 383 I HN -0.026 nan 8.210 nan 0.000 0.434 384 E N 3.905 124.072 120.200 -0.054 0.000 2.063 384 E HA 0.755 5.107 4.350 0.003 0.000 0.265 384 E C -0.804 175.790 176.600 -0.010 0.000 0.919 384 E CA -0.534 55.858 56.400 -0.014 0.000 0.756 384 E CB 1.651 31.345 29.700 -0.009 0.000 1.120 384 E HN 0.823 nan 8.360 nan 0.000 0.414 385 A N 3.140 125.964 122.820 0.007 0.000 2.565 385 A HA 0.362 4.684 4.320 0.003 0.000 0.298 385 A C -1.153 176.449 177.584 0.029 0.000 1.062 385 A CA -1.247 50.801 52.037 0.018 0.000 0.723 385 A CB 0.829 19.842 19.000 0.022 0.000 1.282 385 A HN 0.621 nan 8.150 nan 0.000 0.400 386 D N 1.204 121.623 120.400 0.031 0.000 2.335 386 D HA 0.139 4.780 4.640 0.003 0.000 0.236 386 D C 0.953 177.276 176.300 0.039 0.000 1.297 386 D CA 0.310 54.330 54.000 0.033 0.000 0.906 386 D CB 0.537 41.354 40.800 0.029 0.000 1.164 386 D HN 0.542 nan 8.370 nan 0.000 0.469 387 E N -0.185 120.038 120.200 0.038 0.000 2.051 387 E HA -0.225 4.127 4.350 0.003 0.000 0.192 387 E C 1.423 178.047 176.600 0.040 0.000 0.991 387 E CA 2.037 58.462 56.400 0.041 0.000 0.799 387 E CB -0.504 29.218 29.700 0.037 0.000 0.748 387 E HN 0.613 nan 8.360 nan 0.000 0.449 388 D N -0.234 120.188 120.400 0.036 0.000 2.219 388 D HA -0.116 4.526 4.640 0.003 0.000 0.205 388 D C 1.958 178.283 176.300 0.041 0.000 0.970 388 D CA 0.866 54.887 54.000 0.035 0.000 0.851 388 D CB -0.223 40.594 40.800 0.028 0.000 0.943 388 D HN 0.217 nan 8.370 nan 0.000 0.488 389 V N 1.636 121.577 119.914 0.046 0.000 2.346 389 V HA -0.123 3.999 4.120 0.003 0.000 0.244 389 V C 2.936 179.076 176.094 0.077 0.000 1.037 389 V CA 1.542 63.877 62.300 0.058 0.000 1.029 389 V CB -0.659 31.199 31.823 0.058 0.000 0.663 389 V HN 0.309 nan 8.190 nan 0.000 0.454 390 A N -0.534 122.331 122.820 0.075 0.000 1.908 390 A HA -0.243 4.079 4.320 0.003 0.000 0.218 390 A C 2.211 179.845 177.584 0.083 0.000 1.181 390 A CA 1.869 53.959 52.037 0.088 0.000 0.627 390 A CB -0.464 18.573 19.000 0.062 0.000 0.818 390 A HN 0.486 nan 8.150 nan 0.000 0.445 391 E N 0.047 120.284 120.200 0.061 0.000 2.077 391 E HA -0.148 4.204 4.350 0.003 0.000 0.193 391 E C 2.027 178.656 176.600 0.049 0.000 0.989 391 E CA 1.205 57.636 56.400 0.052 0.000 0.800 391 E CB -0.265 29.459 29.700 0.041 0.000 0.746 391 E HN 0.662 nan 8.360 nan 0.000 0.452 392 K N 0.308 120.736 120.400 0.047 0.000 2.002 392 K HA -0.106 4.215 4.320 0.003 0.000 0.209 392 K C 2.168 178.789 176.600 0.035 0.000 1.048 392 K CA 1.262 57.572 56.287 0.037 0.000 0.930 392 K CB -0.198 32.323 32.500 0.034 0.000 0.714 392 K HN 0.046 nan 8.250 nan 0.000 0.438 393 A N 1.525 124.380 122.820 0.058 0.000 1.917 393 A HA -0.202 4.119 4.320 0.003 0.000 0.219 393 A C 2.109 179.715 177.584 0.037 0.000 1.182 393 A CA 1.480 53.545 52.037 0.046 0.000 0.633 393 A CB -0.644 18.465 19.000 0.182 0.000 0.819 393 A HN 0.295 nan 8.150 nan 0.000 0.448 394 L N -0.608 120.660 121.223 0.075 0.000 2.012 394 L HA -0.214 4.128 4.340 0.003 0.000 0.210 394 L C 2.367 179.267 176.870 0.051 0.000 1.073 394 L CA 2.397 57.282 54.840 0.076 0.000 0.748 394 L CB -0.691 41.411 42.059 0.072 0.000 0.891 394 L HN 0.353 nan 8.230 nan 0.000 0.431 395 Q N 0.595 120.416 119.800 0.035 0.000 2.135 395 Q HA -0.007 4.335 4.340 0.003 0.000 0.204 395 Q C 1.320 177.330 176.000 0.016 0.000 0.981 395 Q CA 1.128 56.946 55.803 0.025 0.000 0.856 395 Q CB -1.037 27.712 28.738 0.019 0.000 0.902 395 Q HN 0.663 nan 8.270 nan 0.000 0.425 399 A N 1.185 124.036 122.820 0.051 0.000 2.220 399 A HA 0.301 4.623 4.320 0.003 0.000 0.211 399 A C 0.747 178.352 177.584 0.036 0.000 1.176 399 A CA -0.138 51.918 52.037 0.032 0.000 0.834 399 A CB -0.185 18.823 19.000 0.013 0.000 0.868 399 A HN 0.144 nan 8.150 nan 0.000 0.488 400 I N 1.981 122.588 120.570 0.060 0.000 2.742 400 I HA 0.013 4.185 4.170 0.003 0.000 0.287 400 I C -2.216 173.933 176.117 0.053 0.000 1.186 400 I CA -1.272 60.052 61.300 0.039 0.000 1.417 400 I CB 0.593 38.608 38.000 0.026 0.000 1.377 400 I HN 0.077 nan 8.210 nan 0.000 0.556 401 P HA 0.014 nan 4.420 nan 0.000 0.261 401 P C 0.739 178.064 177.300 0.042 0.000 1.183 401 P CA 0.708 63.823 63.100 0.025 0.000 0.761 401 P CB 0.572 32.276 31.700 0.007 0.000 0.785 402 G N 1.691 110.528 108.800 0.060 0.000 2.176 402 G HA2 -0.211 3.751 3.960 0.003 0.000 0.232 402 G HA3 -0.211 3.751 3.960 0.003 0.000 0.232 402 G C 0.339 175.332 174.900 0.155 0.000 0.986 402 G CA -0.170 44.985 45.100 0.091 0.000 0.643 402 G HN 0.561 nan 8.290 nan 0.000 0.522 403 T N 0.939 115.587 114.554 0.157 0.000 2.867 403 T HA 0.437 4.788 4.350 0.003 0.000 0.297 403 T C 1.818 176.544 174.700 0.043 0.000 0.989 403 T CA 0.662 62.842 62.100 0.133 0.000 1.159 403 T CB 1.143 70.054 68.868 0.071 0.000 0.928 403 T HN 0.264 nan 8.240 nan 0.000 0.538 404 I N 1.731 122.314 120.570 0.020 0.000 3.039 404 I HA 0.248 4.420 4.170 0.003 0.000 0.270 404 I C 1.223 177.320 176.117 -0.034 0.000 1.150 404 I CA 0.299 61.601 61.300 0.003 0.000 1.448 404 I CB 0.330 38.347 38.000 0.027 0.000 1.197 404 I HN 0.410 nan 8.210 nan 0.000 0.450 405 R N 0.882 121.338 120.500 -0.073 0.000 2.594 405 R HA 0.694 5.036 4.340 0.003 0.000 0.265 405 R C -2.069 174.146 176.300 -0.142 0.000 1.070 405 R CA -0.483 55.574 56.100 -0.072 0.000 0.909 405 R CB 2.013 32.302 30.300 -0.019 0.000 1.243 405 R HN 0.021 nan 8.270 nan 0.000 0.455 406 A N 3.704 126.458 122.820 -0.109 0.000 2.449 406 A HA 0.818 5.140 4.320 0.003 0.000 0.302 406 A C -1.241 176.352 177.584 0.015 0.000 1.048 406 A CA -0.749 51.253 52.037 -0.059 0.000 0.708 406 A CB 1.869 20.824 19.000 -0.075 0.000 1.274 406 A HN 0.785 nan 8.150 nan 0.000 0.410 407 R N 0.199 120.729 120.500 0.049 0.000 2.643 407 R HA 0.491 4.833 4.340 0.003 0.000 0.269 407 R C -1.924 174.400 176.300 0.039 0.000 1.037 407 R CA -0.816 55.307 56.100 0.038 0.000 0.894 407 R CB 2.142 32.455 30.300 0.021 0.000 1.238 407 R HN 0.621 nan 8.270 nan 0.000 0.459 408 L N 3.963 125.204 121.223 0.029 0.000 2.257 408 L HA 0.336 4.678 4.340 0.003 0.000 0.290 408 L C -0.008 176.856 176.870 -0.009 0.000 1.044 408 L CA 0.166 55.009 54.840 0.004 0.000 0.810 408 L CB 0.985 43.059 42.059 0.024 0.000 1.193 408 L HN 0.745 nan 8.230 nan 0.000 0.425 409 L N 5.264 126.441 121.223 -0.077 0.000 2.102 409 L HA 0.119 4.461 4.340 0.003 0.000 0.202 409 L C -0.185 176.720 176.870 0.058 0.000 1.076 409 L CA 0.450 55.266 54.840 -0.040 0.000 0.761 409 L CB -0.321 41.670 42.059 -0.113 0.000 0.921 409 L HN 0.714 nan 8.230 nan 0.000 0.444 410 Y N 0.000 120.322 120.300 0.036 0.000 2.660 410 Y HA 0.000 4.551 4.550 0.002 0.000 0.201 410 Y CA 0.000 58.117 58.100 0.029 0.000 1.940 410 Y CB 0.000 38.475 38.460 0.025 0.000 1.050 410 Y HN 0.000 nan 8.280 nan 0.000 0.758